data_2gqb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2gqb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.642 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.634 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.634 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.626 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.436 ' HB3' HG22 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.547 ' HA ' HD11 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.484 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' HG21 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.485 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.857 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.577 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.857 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.53 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB2' HG23 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.514 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.514 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.417 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.536 ' HA ' HD11 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HB3' HD12 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 121.246 0.546 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.553 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.497 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 79' ' ' ILE . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.542 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.442 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.558 ' HA ' HD12 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.491 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.565 ' O ' HG22 ' A' ' 118' ' ' VAL . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.8 OUTLIER -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.599 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.997 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.563 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.418 ' CD ' ' HZ3' ' A' ' 75' ' ' LYS . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.511 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.719 ' HE3' ' HA ' ' A' ' 81' ' ' SER . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.869 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.522 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.869 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 83' ' ' LEU . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.551 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.677 0.275 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.522 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.601 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo . . . . . 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 1.013 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 52' ' ' ILE . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.534 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.53 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.687 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.615 ' HE3' ' HA ' ' A' ' 81' ' ' SER . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.504 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.615 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.609 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.558 HD11 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 87' ' ' LYS . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' HG3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.46 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.771 0.319 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.528 ' HB3' HG23 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.869 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.488 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.869 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HZ1' ' HB3' ' A' ' 123' ' ' LYS . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.734 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.612 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HB3' HG12 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.403 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HB3' ' HZ1' ' A' ' 58' ' ' LYS . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' HB2' HG23 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.798 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.659 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.798 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.542 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.572 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.426 ' O ' HG22 ' A' ' 118' ' ' VAL . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.566 ' HB ' HD11 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.555 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.551 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' HB1' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.555 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.555 ' HD1' ' HB3' ' A' ' 90' ' ' ALA . 51.3 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 117' ' ' LEU . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.441 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HB ' HD12 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.534 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB2' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' O ' ' HD2' ' A' ' 55' ' ' LYS . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.537 ' O ' HG21 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.923 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.441 HD13 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.496 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.707 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.441 ' HE3' HG12 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' N ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.633 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.536 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.533 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.511 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.55 HG23 HD12 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.576 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 . . . . . 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.536 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.53 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.519 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.657 ' HG3' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.657 HE21 ' HG3' ' A' ' 111' ' ' LYS . 26.9 mm-40 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.48 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.597 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.728 0.775 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.522 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.605 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB1' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.58 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 HD23 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.579 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HB1' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.748 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.955 0.407 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.465 ' HG ' HD13 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 93' ' ' LEU . 8.1 tp-100 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.411 HD21 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.541 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.946 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.946 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.45 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.629 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.743 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.453 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.989 0.423 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB3' HG23 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.629 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.657 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG11 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.849 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 74' ' ' MET . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.849 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.485 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.806 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.806 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.868 0.366 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.5 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 118' ' ' VAL . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.593 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.441 0.639 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.765 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.638 ' HB3' HG12 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.711 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.479 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.52 ' HA ' HD22 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 70' ' ' ILE . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.545 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.545 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.481 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.745 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.616 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.745 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.531 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.95 0.405 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.52 HD22 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.514 ' O ' ' HG3' ' A' ' 114' ' ' MET . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.638 HG12 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.511 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo . . . . . 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.976 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.502 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.65 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.509 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.65 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 10' ' ' ALA . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD21 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HD2' HD21 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.031 0.443 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.534 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' O ' ' HG3' ' A' ' 114' ' ' MET . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.637 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.637 ' HE1' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.613 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.613 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.454 HG22 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.691 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.596 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.557 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.791 ' HE3' HD11 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.791 HD11 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.456 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.526 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.8 OUTLIER -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.497 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo . . . . . 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.449 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.494 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 57' ' ' VAL . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' HD23 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CH2' ' HA ' ' A' ' 50' ' ' ALA . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.41 HD13 HD23 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.523 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.725 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.725 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 112' ' ' GLN . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.553 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.602 ' CD ' ' HA ' ' A' ' 3' ' ' ILE . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' CG ' ' HZ3' ' A' ' 123' ' ' LYS . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB2' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.7 HD11 ' HB1' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD23 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 70' ' ' ILE . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.476 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.7 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.476 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.69 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.517 HG21 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.685 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.853 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 93' ' ' LEU . 7.6 tp-100 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.853 ' HE1' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.527 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.162 0.06 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.82 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.82 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.519 HD11 HD23 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.544 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.547 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.547 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.786 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.786 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.438 HD22 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.492 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.663 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.611 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.611 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.428 ' HE2' ' HB2' ' A' ' 8' ' ' MET . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.675 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.562 ' HA ' HD22 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG21 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.445 ' H ' HG21 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.79 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.529 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.79 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.562 HD22 ' HA ' ' A' ' 69' ' ' SER . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.671 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.631 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.515 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG12 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB3' ' HZ3' ' A' ' 58' ' ' LYS . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.549 ' HB2' HG21 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HG3' ' HG ' ' A' ' 69' ' ' SER . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.569 ' HG ' ' HG3' ' A' ' 65' ' ' GLU . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.744 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.533 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 79' ' ' ILE . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.823 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.555 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.538 ' HA ' HD11 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.555 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.2 tp-100 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.593 HG22 HD23 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 118' ' ' VAL . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 114' ' ' MET . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo . . . . . 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -120.69 95.9 4.9 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.642 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.95 35.95 3.24 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.3 107.34 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 110.023 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -133.71 10.41 3.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.226 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 8.73 20.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.016 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.1 34.4 13.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.659 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.36 -74.92 0.5 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.88 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 50.8 m 57.15 178.25 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 123.476 0.485 . . . . 0.0 112.179 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 14.9 Cg_exo -69.8 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 121.987 1.792 . . . . 0.0 111.707 168.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.57 36.03 54.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.268 175.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.6 -18.81 7.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.054 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.34 42.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 110.95 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -110.53 171.68 7.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.849 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -104.2 131.45 21.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.384 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 30.3 Cg_exo -62.29 150.03 88.54 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.921 2.414 . . . . 0.0 112.444 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 153.42 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -73.74 147.99 43.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.519 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -119.57 -165.95 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.285 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.42 -91.03 0.45 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.34 45.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.59 90.01 2.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.237 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.55 0.43 7.41 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -83.59 91.01 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.172 0.51 . . . . 0.0 111.433 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.46 137.38 0.73 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.905 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -62.17 145.03 96.42 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.758 2.305 . . . . 0.0 111.985 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -124.66 77.72 1.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.351 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -130.44 78.02 74.96 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.47 96.97 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.999 2.466 . . . . 0.0 111.965 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 pt20 -89.27 125.91 60.35 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 51.6 Cg_exo -56.26 141.68 88.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.924 2.416 . . . . 0.0 112.869 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -97.56 106.43 18.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.159 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 160.16 28.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.367 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.69 86.78 4.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.872 0.367 . . . . 0.0 110.094 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.52 -15.09 17.67 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.339 2.026 . . . . 0.0 110.89 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t -114.95 130.65 56.97 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.203 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.547 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.634 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.634 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.507 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 70.73 124.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.1 t -138.45 108.27 6.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.11 57.75 0.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.573 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.93 -87.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.845 -0.209 . . . . 0.0 110.489 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -112.23 -2.7 14.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.431 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.734 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.946 -174.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 105' ' ' MET . 5.4 t70 55.01 -158.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.663 0.602 . . . . 0.0 109.815 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 17.5 m -77.99 -17.69 56.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.208 -0.308 . . . . 0.0 110.605 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.77 2.28 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.734 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.458 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.626 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.436 ' HB3' HG22 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.547 ' HA ' HD11 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.484 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.48 ' O ' HG21 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 1.073 ' HG2' HD13 ' A' ' 128' ' ' ILE . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.32 -6.51 6.85 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.673 ' HG2' HD11 ' A' ' 128' ' ' ILE . 3.1 pm0 -108.37 -6.1 16.4 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.503 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 1.073 HD13 ' HG2' ' A' ' 125' ' ' PRO . 2.7 mp -97.06 101.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.252 0.549 . . . . 0.0 109.646 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -155.62 93.11 1.45 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.261 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.634 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 2' ' ' SER . 24.5 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.372 0.13 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 1' ' ' MET . 48.8 m 81.26 90.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.324 0.65 . . . . 0.0 109.963 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.857 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.577 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.857 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.71 29.23 5.01 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.41 123.1 18.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.45 0.643 . . . . 0.0 111.735 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.2 t -139.97 17.54 2.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.614 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.64 -37.26 4.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.749 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.35 -32.56 13.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.892 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.63 3.19 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.398 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 22.7 m 71.71 159.16 0.16 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.822 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 16.1 Cg_endo -57.19 136.14 74.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.563 2.175 . . . . 0.0 112.341 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -152.38 20.38 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.131 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.37 130.65 2.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.39 122.83 23.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.684 0.278 . . . . 0.0 110.668 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -139.01 117.61 12.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.188 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.94 120.0 59.62 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.733 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.64 146.97 89.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.828 2.352 . . . . 0.0 111.646 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.07 61.68 2.66 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.596 0.56 . . . . 0.0 111.508 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -81.18 0.42 36.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.9 p -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.528 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 130.65 48.47 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.636 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.8 -38.33 58.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.883 0.373 . . . . 0.0 111.247 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.43 79.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.8 -80.67 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 113.747 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p 46.42 73.38 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.363 0.665 . . . . 0.0 111.035 -171.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -92.24 115.0 63.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.217 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_endo -88.38 174.26 4.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.862 2.375 . . . . 0.0 112.208 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.42 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 9.2 t -128.28 113.43 15.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 110.98 13.24 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.197 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 37' ' ' THR . 55.3 Cg_endo -99.8 106.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.665 2.91 . . . . 0.0 112.661 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -97.26 129.83 31.09 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 108.62 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.884 2.39 . . . . 0.0 111.928 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -85.27 -26.87 26.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.725 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.7 146.31 33.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.332 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 83.76 8.91 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.883 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -84.7 -63.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.63 2.22 . . . . 0.0 113.002 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p -78.58 127.98 32.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.023 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG23 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB2' HG23 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.652 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.514 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.652 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.514 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.417 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.595 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.595 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.548 HD11 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.444 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 54.4 82.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -131.63 125.84 33.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.7 145.98 5.09 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.188 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -169.79 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.744 0.307 . . . . 0.0 110.422 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -67.48 -18.76 65.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.144 0.497 . . . . 0.0 111.247 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.941 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -80.15 -14.06 58.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.199 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 t70 51.97 -155.14 0.17 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.725 0.64 . . . . 0.0 111.147 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -68.9 -31.49 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.575 0.35 . . . . 0.0 111.385 -175.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -59.96 3.61 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.877 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.941 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.536 ' HA ' HD11 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HB3' HD12 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.577 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.444 HG12 HG23 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.456 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.464 ' C ' ' H ' ' A' ' 127' ' ' GLU . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.09 15.43 0.1 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 125' ' ' PRO . 21.8 mt-10 -85.7 -23.75 27.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.26 0.552 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.26 76.82 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.075 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -160.01 79.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.13 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.169 -0.919 . . . . 0.0 109.474 178.192 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' H3 ' ' CD ' ' A' ' 88' ' ' GLU . 27.5 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.379 0.133 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m -156.25 59.47 0.57 Allowed 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.592 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.592 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.57 8.14 43.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -83.36 117.93 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.522 0.677 . . . . 0.0 111.441 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 m -146.05 21.21 1.41 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.626 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.96 -27.6 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.064 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.59 88.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.061 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.18 -75.15 0.6 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 m 59.25 90.06 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.8 0.688 . . . . 0.0 111.623 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.12 123.93 10.82 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.647 2.231 . . . . 0.0 112.514 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.07 131.18 1.69 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.75 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.417 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.22 157.13 18.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.796 0.331 . . . . 0.0 110.573 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -93.13 150.15 20.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.09 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.06 131.35 89.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.76 104.29 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.801 2.334 . . . . 0.0 112.582 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.14 173.53 10.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.398 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -73.94 113.65 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 110.948 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -132.83 155.61 48.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.068 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.12 126.74 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.462 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.07 5.41 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 0.0 110.782 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 125.37 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.368 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 -105.24 2.4 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m 60.26 89.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.0 111.153 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -87.5 118.4 69.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_exo -71.35 105.88 1.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.689 2.259 . . . . 0.0 111.636 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -80.87 -19.89 43.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.402 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.52 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.462 0.171 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.584 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.77 11.93 2.36 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.002 2.468 . . . . 0.0 112.416 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' OE1' ' HA ' ' A' ' 40' ' ' GLN . 15.1 mm-40 71.12 149.2 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 111.603 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.47 132.79 32.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.754 2.303 . . . . 0.0 112.32 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.6 m -116.34 120.47 39.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.086 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 159.0 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.7 81.51 10.88 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 110.65 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -81.68 -11.03 11.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.541 2.161 . . . . 0.0 111.504 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -109.98 109.36 19.92 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.983 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.553 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.661 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.666 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.497 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.42 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.406 ' N ' HG23 ' A' ' 79' ' ' ILE . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.472 ' H ' HG23 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.545 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.542 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.701 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 64.08 29.95 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -79.76 37.73 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.849 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.63 153.19 10.09 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.889 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.79 -36.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 110.643 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -66.76 -7.49 21.6 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.787 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.559 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.1 p-10 -69.08 -21.96 64.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.495 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 65.91 170.73 0.22 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.48 ' HA ' ' HE1' ' A' ' 105' ' ' MET . 4.3 m -57.08 -27.21 61.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.83 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -59.16 4.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.589 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.559 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.48 ' HE1' ' HA ' ' A' ' 102' ' ' SER . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.442 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.577 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.542 ' HB3' HG23 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.558 ' HA ' HD12 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.491 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.489 HG21 HD23 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.623 ' HE1' ' HA ' ' A' ' 130' ' ' HIS . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.491 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.8 OUTLIER -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.599 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.599 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.35 5.92 0.47 Allowed 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 125' ' ' PRO . 6.4 mm-40 -75.52 -27.09 58.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.308 0.575 . . . . 0.0 109.801 176.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 128' ' ' ILE . 4.1 mp -115.53 100.04 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.014 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.751 ' HD2' ' N ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -73.63 -50.71 19.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.478 -177.246 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.751 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.187 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' MET . 24.2 m 89.81 75.45 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.966 0.906 . . . . 0.0 110.987 168.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.563 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.467 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.65 -1.41 37.14 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -106.76 158.03 17.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.84 0.352 . . . . 0.0 110.2 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 m -151.38 18.94 0.74 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.22 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.92 -39.86 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -59.38 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.727 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.547 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -133.49 132.98 41.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -176.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -152.88 102.58 2.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.02 147.48 23.9 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.334 2.022 . . . . 0.0 112.723 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.41 -148.5 19.77 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.751 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.64 70.07 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.95 140.91 29.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.665 0.269 . . . . 0.0 110.298 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -106.05 138.91 41.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.182 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -64.64 140.32 97.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -64.87 91.56 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.599 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.16 102.86 6.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.463 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 m -133.74 150.12 51.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -61.06 -33.59 73.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.15 -104.06 0.51 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.46 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.562 . . . . 0.0 110.224 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.29 103.69 15.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.838 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.28 60.56 0.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.39 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -67.62 114.88 6.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.022 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.72 142.46 40.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.402 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.73 128.93 29.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.779 2.319 . . . . 0.0 112.196 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -92.09 29.78 1.56 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.204 0.526 . . . . 0.0 111.363 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 102.64 52.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -89.98 127.1 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.324 2.683 . . . . 0.0 111.748 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 61.7 tt0 -102.75 115.33 64.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 6.0 Cg_exo -80.36 117.55 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.216 2.61 . . . . 0.0 111.829 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.7 m -144.2 130.19 19.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.27 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.44 172.72 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.474 0.654 . . . . 0.0 112.23 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.23 90.42 6.71 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.48 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.75 12.58 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.909 2.406 . . . . 0.0 113.395 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -152.17 135.26 15.74 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 18' ' ' ALA . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.561 ' O ' HG22 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' CD ' ' HZ3' ' A' ' 75' ' ' LYS . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.511 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.719 ' HE3' ' HA ' ' A' ' 81' ' ' SER . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.869 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.522 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.869 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 83' ' ' LEU . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.552 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.552 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 71.18 105.29 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -142.06 102.06 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.93 77.08 0.2 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.98 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.11 -77.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.4 ptp -74.4 -26.11 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.269 0.557 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.91 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 5.4 p-10 -87.59 -9.22 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.157 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 102' ' ' SER . 5.5 t70 52.46 -152.05 0.27 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.781 179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.573 ' HA ' ' HE3' ' A' ' 105' ' ' MET . 1.3 m -80.31 -29.31 38.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.898 0.38 . . . . 0.0 110.979 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.36 3.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.739 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.91 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.573 ' HE3' ' HA ' ' A' ' 102' ' ' SER . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.522 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.601 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 127' ' ' GLU . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.66 15.41 0.11 Allowed 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' A' ' 125' ' ' PRO . 7.4 mm-40 -83.79 -20.99 32.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.759 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.477 HG21 ' HE3' ' A' ' 114' ' ' MET . 4.0 mp -96.63 83.29 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.574 0.702 . . . . 0.0 109.716 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -164.49 94.22 0.69 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.365 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.823 179.015 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -173.2 93.91 0.11 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.117 0.567 . . . . 0.0 109.881 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 1.013 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.013 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 52' ' ' ILE . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.7 -15.54 61.42 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.5 110.52 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.304 0.573 . . . . 0.0 111.021 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m -128.06 -9.73 5.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.222 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.94 16.05 0.11 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.956 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.18 -43.93 7.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.27 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.28 -79.35 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.131 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m 65.73 142.1 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 123.864 0.728 . . . . 0.0 112.049 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.52 106.04 1.55 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.65 2.233 . . . . 0.0 112.82 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.45 -163.43 33.98 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.7 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 -104.71 0.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.742 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.76 78.51 0.17 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.254 0.549 . . . . 0.0 110.423 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.2 124.1 50.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.35 149.63 36.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.97 112.42 2.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.455 2.103 . . . . 0.0 111.972 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.22 162.37 13.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 -177.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m 64.68 27.83 13.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.685 0.755 . . . . 0.0 110.535 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.4 p -78.83 -71.8 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.96 21.0 5.32 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.94 166.98 31.82 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 134.95 56.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.58 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.53 0.62 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.734 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -73.17 -32.94 65.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.501 0.191 . . . . 0.0 110.684 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 71.17 152.48 0.14 Allowed Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.855 0.722 . . . . 0.0 111.852 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.15 102.37 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.404 2.069 . . . . 0.0 112.439 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.59 83.99 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.216 0.531 . . . . 0.0 110.968 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.79 101.12 52.3 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.619 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.87 144.04 47.07 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.513 2.142 . . . . 0.0 111.726 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -156.6 145.32 14.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.072 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.24 121.9 10.32 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.876 2.384 . . . . 0.0 111.59 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.5 m -83.6 85.62 7.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 111.367 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.45 165.44 11.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.355 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -135.13 82.1 42.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -89.23 9.65 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.926 2.418 . . . . 0.0 111.866 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m -145.33 106.18 4.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.996 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HB3' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.534 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' HB ' ' O ' ' A' ' 54' ' ' ASP . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.6 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.687 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.53 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.687 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.53 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.615 ' HE3' ' HA ' ' A' ' 81' ' ' SER . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.504 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.615 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.609 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.585 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.558 HD11 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 87' ' ' LYS . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD23 ' HG3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.46 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 61.84 79.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -137.22 91.53 2.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.006 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.33 101.27 0.2 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.185 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -147.61 -78.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -88.71 1.95 54.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.1 p-10 -96.21 -1.78 47.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 62.47 174.29 0.14 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.085 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -64.71 -21.32 66.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.32 -59.48 4.36 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.458 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.639 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.528 ' HB3' HG23 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.869 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.488 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.869 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.435 HD11 HD11 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HZ1' ' HB3' ' A' ' 123' ' ' LYS . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.51 33.43 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' A' ' 125' ' ' PRO . 27.8 mt-10 -106.67 -30.39 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 177.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.2 mp -111.11 85.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.024 -169.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 10.0 ttpt 172.21 124.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.028 169.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.848 174.162 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.819 0.342 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.734 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m 80.27 95.85 0.05 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.201 173.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.612 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.471 ' HB3' HG12 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.612 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.3 21.96 9.11 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.8 145.35 44.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.698 0.285 . . . . 0.0 110.419 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -147.55 31.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.32 -36.46 0.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.04 -48.61 4.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.46 1.56 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -174.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -69.96 134.35 87.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.571 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 37.2 Cg_endo -67.11 104.53 0.87 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.795 2.33 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.72 150.79 19.6 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.71 73.37 1.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.181 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.44 104.37 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.715 0.293 . . . . 0.0 110.345 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.13 151.03 47.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.517 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.1 143.54 53.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.0 164.6 24.3 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.756 2.304 . . . . 0.0 112.096 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 125.04 23.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.397 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m 74.14 -42.08 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.414 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.804 ' HB ' ' HB1' ' A' ' 32' ' ' ALA . 1.7 p -82.16 77.74 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.35 0.595 . . . . 0.0 111.351 -177.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.38 115.2 7.57 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.697 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.06 13.33 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 123.071 0.548 . . . . 0.0 112.002 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.804 ' HB1' ' HB ' ' A' ' 29' ' ' THR . . . -89.76 -10.48 45.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.106 0.479 . . . . 0.0 110.784 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.24 110.93 3.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.128 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -63.05 131.55 48.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.661 0.267 . . . . 0.0 111.311 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 119.31 4.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -80.42 128.07 6.87 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.243 . . . . 0.0 112.52 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.0 m -86.4 89.01 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.286 0.565 . . . . 0.0 110.197 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.57 84.74 18.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.701 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.82 -24.83 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.406 2.07 . . . . 0.0 112.7 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 51.24 78.3 0.41 Allowed Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.923 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -61.19 102.65 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.932 2.422 . . . . 0.0 112.426 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -150.25 17.75 0.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.693 0.758 . . . . 0.0 109.731 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.04 147.12 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.407 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.13 90.2 0.96 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.923 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.79 -58.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.35 2.034 . . . . 0.0 112.86 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -152.88 161.84 42.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.403 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.571 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' HG22 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HB3' ' HZ1' ' A' ' 58' ' ' LYS . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.579 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' HB2' HG23 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.49 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.455 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.798 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.659 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.798 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD11 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.542 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 63.29 83.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -125.44 118.77 26.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.238 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.9 159.94 23.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.913 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -158.62 -68.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -111.33 21.21 16.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.986 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -92.88 -31.39 14.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 102' ' ' SER . 27.8 t70 61.98 -178.84 0.13 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.493 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 46.0 m -63.75 -25.42 68.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.195 -0.316 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.24 -59.73 4.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.986 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.534 ' HE2' HD22 ' A' ' 100' ' ' ASN . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.641 ' CE1' ' HA ' ' A' ' 130' ' ' HIS . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.524 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.649 ' HG3' ' HB2' ' A' ' 130' ' ' HIS . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.537 ' HD2' HG12 ' A' ' 128' ' ' ILE . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.09 3.31 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 125' ' ' PRO . 30.5 mm-40 -76.37 -23.84 54.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.686 173.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.537 HG12 ' HD2' ' A' ' 125' ' ' PRO . 18.0 mm -101.79 99.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.221 -176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 1.1 tpmt? -95.86 104.24 16.16 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.649 ' HB2' ' HG3' ' A' ' 114' ' ' MET . 2.1 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.508 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' H ' ' A' ' 2' ' ' SER . 3.8 ttt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m -103.33 91.41 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' HB ' HD11 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB1' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.17 12.38 37.19 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -81.42 159.34 24.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -177.05 -38.01 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -174.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.92 26.11 0.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.74 -60.89 1.44 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 -176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.14 -58.58 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.308 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.432 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 59.7 p 51.31 97.09 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 124.134 0.896 . . . . 0.0 111.793 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.505 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 12.3 Cg_endo -55.11 133.89 60.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.277 2.651 . . . . 0.0 112.901 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -135.3 2.32 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.175 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.2 141.36 7.64 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.54 93.13 4.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.171 0.51 . . . . 0.0 111.819 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -90.33 97.07 10.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.43 137.76 24.41 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 111.6 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.61 -164.2 0.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.861 2.374 . . . . 0.0 111.341 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.11 17.89 10.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.25 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -75.86 -36.46 59.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.547 0.689 . . . . 0.0 109.609 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -97.45 155.59 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.07 78.75 0.21 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.395 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.77 128.02 10.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 86.71 4.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.799 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.47 41.22 1.21 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.101 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -84.31 59.72 5.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.449 0.642 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.19 137.96 20.32 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.607 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.66 94.25 0.38 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.424 2.083 . . . . 0.0 111.656 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -97.01 0.24 48.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.186 0.517 . . . . 0.0 110.594 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.14 140.75 24.63 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.18 165.55 29.35 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.828 2.352 . . . . 0.0 112.861 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -85.07 141.34 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.72 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.56 108.41 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.702 2.268 . . . . 0.0 111.27 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -91.57 127.94 37.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.68 -175.78 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.481 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.14 85.82 4.57 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.35 -14.16 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.513 2.142 . . . . 0.0 112.105 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -148.24 146.97 28.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.526 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.555 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.602 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 128' ' ' ILE . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.494 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.551 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.542 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 HD12 ' HB1' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.503 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.566 HD11 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.555 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.555 ' HD1' ' HB3' ' A' ' 90' ' ' ALA . 51.3 t80 57.41 81.83 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -107.57 18.07 21.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.323 0.582 . . . . 0.0 110.671 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.24 93.68 0.82 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -105.25 -89.61 0.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.485 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -93.51 15.76 15.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.063 0.458 . . . . 0.0 111.206 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 104' ' ' SER . 1.9 p-10 -92.77 6.75 46.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.552 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 64.55 -174.25 0.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.054 176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m -67.71 -21.66 65.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.942 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.71 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.585 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.505 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.445 ' HB3' HD11 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.574 ' HG2' HG21 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 117' ' ' LEU . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.726 HD21 ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.508 ' C ' ' H ' ' A' ' 127' ' ' GLU . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.59 26.04 0.17 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.536 ' HB2' HD11 ' A' ' 128' ' ' ILE . 7.6 mm-40 -95.62 -35.52 11.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.225 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.574 HG21 ' HG2' ' A' ' 114' ' ' MET . 3.8 mp -133.78 100.89 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -172.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.726 ' HE3' HD21 ' A' ' 124' ' ' LEU . 28.9 ttmt -167.41 128.48 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.421 169.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.422 ' C ' ' HZ3' ' A' ' 111' ' ' LYS . 57.8 t-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.314 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' H2 ' ' CD ' ' A' ' 88' ' ' GLU . 26.5 ttm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m -102.97 101.93 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HB ' HD12 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.58 9.75 9.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -131.89 156.46 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.031 0.416 . . . . 0.0 111.532 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -153.38 24.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.828 173.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.35 -30.18 0.29 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.22 113.58 27.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.143 -0.348 . . . . 0.0 111.579 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.82 1.62 3.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.098 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.52 141.68 39.36 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.672 0.272 . . . . 0.0 110.369 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.464 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 27.7 Cg_endo -62.33 123.62 12.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.765 2.31 . . . . 0.0 112.697 -176.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.26 -68.88 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.779 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.09 -178.34 15.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.219 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.27 165.49 34.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.44 161.34 14.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.983 0.42 . . . . 0.0 110.541 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 121.76 29.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.335 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.89 114.98 2.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.575 2.183 . . . . 0.0 111.631 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.87 94.33 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.859 0.361 . . . . 0.0 111.642 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -81.42 146.78 30.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.0 m -64.07 111.94 2.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.948 0.404 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.82 -68.16 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.266 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.1 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.481 0.181 . . . . 0.0 111.122 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.72 -63.6 0.35 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.771 0.828 . . . . 0.0 112.184 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.59 54.26 4.9 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.811 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.0 m -155.13 106.37 2.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.0 140.38 21.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.353 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.84 105.12 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.247 1.964 . . . . 0.0 111.317 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.8 p -73.38 95.4 2.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.455 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.94 102.89 21.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.538 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.04 150.07 85.55 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.658 2.239 . . . . 0.0 111.405 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.76 116.9 66.86 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.725 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.1 96.97 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.598 2.199 . . . . 0.0 110.31 169.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m -78.33 87.86 4.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.753 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.18 143.87 9.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.264 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.74 76.55 1.47 Allowed Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.244 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.57 -10.63 6.26 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.466 2.111 . . . . 0.0 112.383 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -130.69 146.93 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.534 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB2' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' O ' ' HD2' ' A' ' 55' ' ' LYS . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.537 ' O ' HG21 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.923 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.507 HD13 HD22 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.476 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.923 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.441 HD13 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.496 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.707 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.643 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.707 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 64.25 95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -139.84 141.92 36.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.911 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.31 148.71 4.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.938 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -162.2 -75.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.737 0.303 . . . . 0.0 111.649 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -98.98 11.44 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 0.0 111.116 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.944 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -92.16 -5.71 52.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.981 -174.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 105' ' ' MET . 9.0 t70 53.71 -154.75 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.563 0.539 . . . . 0.0 110.219 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.465 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 8.7 m -81.33 -20.92 39.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.525 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -67.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.778 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.944 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.466 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.454 ' HA ' HD12 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.525 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.441 ' HE3' HG12 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.44 HD22 ' HB ' ' A' ' 128' ' ' ILE . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 127' ' ' GLU . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo -66.12 32.81 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 125' ' ' PRO . 27.1 mt-10 -100.61 -24.46 14.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.44 ' HB ' HD22 ' A' ' 124' ' ' LEU . 4.3 mp -102.54 116.02 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.534 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 2.1 tpmt? -155.85 -41.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.256 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' H3 ' ' CD ' ' A' ' 88' ' ' GLU . 48.8 ttm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -170.93 85.78 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.362 0.665 . . . . 0.0 109.218 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' HB ' HD12 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.48 12.99 12.19 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.09 157.19 24.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.761 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -135.14 75.36 1.56 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.888 0.375 . . . . 0.0 111.109 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.53 41.15 0.59 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.452 170.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.67 91.48 6.44 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.992 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' ' HG3' ' A' ' 55' ' ' LYS . . . 63.96 35.0 11.06 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 150.29 77.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.372 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.552 ' HD3' ' HG3' ' A' ' 51' ' ' PRO . 41.3 Cg_endo -66.78 140.05 54.44 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.74 2.293 . . . . 0.0 112.29 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.09 5.3 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.611 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.14 148.39 19.33 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.292 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.62 176.43 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.0 110.676 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -118.46 116.71 27.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.72 108.58 56.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.282 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.32 177.13 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.939 2.426 . . . . 0.0 112.211 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.31 88.14 4.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 m -99.74 116.31 31.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.397 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -100.3 151.23 21.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.564 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.62 -41.74 0.65 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.7 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 71.69 -62.21 0.47 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.411 0.685 . . . . 0.0 111.635 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 128.81 37.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.677 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.2 119.13 1.38 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 p -83.24 109.38 17.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.194 0.521 . . . . 0.0 111.608 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.89 110.23 42.13 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.922 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.06 141.54 89.23 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.867 2.378 . . . . 0.0 112.604 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 13.7 m -103.36 93.39 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.731 177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.17 102.21 23.31 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.334 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 37' ' ' THR . 74.1 Cg_endo -85.79 103.65 0.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.504 2.136 . . . . 0.0 112.044 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.26 127.48 76.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.579 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.36 114.76 1.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.09 2.527 . . . . 0.0 112.793 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -107.79 150.4 27.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.72 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.38 166.55 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 0.0 111.075 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.66 84.82 8.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.866 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.04 2.39 6.99 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.867 2.378 . . . . 0.0 112.209 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m -145.88 149.93 35.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.631 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HG3' ' HD3' ' A' ' 20' ' ' PRO . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HG3' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.633 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.533 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.658 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.536 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.533 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.511 ' HE3' ' HA ' ' A' ' 71' ' ' VAL . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.633 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.543 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.55 HG23 HD12 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.464 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.406 HD12 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.576 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 60.58 25.71 15.4 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -62.62 121.03 12.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.98 -176.54 22.48 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.995 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -172.28 -71.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.185 0.517 . . . . 0.0 110.656 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 2.13 45.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.19 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.971 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.689 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.547 ' CG ' ' H ' ' A' ' 102' ' ' SER . 13.2 t70 54.89 -159.72 0.18 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.561 0.538 . . . . 0.0 110.418 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.547 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 71.1 m -78.1 -21.56 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.61 0.243 . . . . 0.0 110.888 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.3 -61.07 2.65 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.132 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.971 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.51 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.536 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.53 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.519 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.657 ' HG3' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.657 HE21 ' HG3' ' A' ' 111' ' ' LYS . 26.9 mm-40 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.484 HG23 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.479 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.432 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.48 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 127' ' ' GLU . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.53 7.91 0.22 Allowed 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 125' ' ' PRO . 8.7 mm-40 -78.54 -26.04 45.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.022 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 128' ' ' ILE . 3.9 mp -94.91 78.94 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 121.924 0.868 . . . . 0.0 109.738 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.451 ' HB3' ' HE3' ' A' ' 129' ' ' LYS . 25.0 mtpp -133.74 83.54 2.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.129 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.467 ' OXT' ' HB3' ' A' ' 111' ' ' LYS . 91.8 m-70 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.073 -175.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' SER . 13.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.597 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m 85.94 84.17 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.39 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.605 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.522 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.605 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HB1' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.74 7.36 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -111.89 178.75 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -139.25 -5.99 1.41 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.96 -43.17 0.51 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.593 0.757 . . . . 0.0 112.669 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.59 28.74 13.26 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.124 0.569 . . . . 0.0 110.647 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.695 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . . . -167.89 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.121 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 20.2 m 70.91 159.15 0.16 Allowed Pre-proline 0 N--CA 1.465 0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.334 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 18.0 Cg_endo -59.25 100.46 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 111.99 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.69 -84.5 0.19 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.952 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.36 50.47 4.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.491 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -83.4 136.84 34.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -73.05 104.45 4.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.389 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.97 141.45 22.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.96 98.5 0.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.327 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.96 123.04 7.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.991 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t -135.62 141.09 45.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.421 . . . . 0.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 p -108.2 14.87 24.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.493 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.96 -80.51 1.1 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.615 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.08 102.67 13.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.75 133.28 31.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 51.71 4.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.079 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.3 m -81.0 103.51 10.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.038 0.447 . . . . 0.0 110.878 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -149.36 136.29 10.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.409 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 8.0 Cg_exo -71.51 91.78 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.752 2.302 . . . . 0.0 111.617 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.4 t -106.62 -3.94 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.32 93.72 40.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.74 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.72 112.52 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.624 2.216 . . . . 0.0 112.406 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -90.06 147.3 36.83 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.301 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.04 140.01 76.41 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.588 2.192 . . . . 0.0 112.493 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -64.29 120.51 12.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.45 -178.06 6.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.617 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.14 87.2 14.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.18 -59.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.337 2.025 . . . . 0.0 113.35 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -155.22 150.52 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.485 ' HB2' ' HG3' ' A' ' 20' ' ' PRO . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.579 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 HD23 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.579 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.58 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD12 ' HB1' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.748 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.748 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 66.35 18.41 10.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.0 m -79.4 72.61 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.36 119.48 0.7 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.31 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -158.92 -55.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.548 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -71.05 -10.91 60.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.252 0.549 . . . . 0.0 111.197 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.75 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.4 p-10 -93.33 6.3 48.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.44 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 62.94 -174.83 0.15 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.571 ' HA ' ' HE1' ' A' ' 105' ' ' MET . 23.6 m -76.29 -17.01 59.66 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.53 -66.73 0.37 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.269 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.75 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.571 ' HE1' ' HA ' ' A' ' 102' ' ' SER . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.465 ' HG ' HD13 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.533 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB3' HD12 ' A' ' 93' ' ' LEU . 8.1 tp-100 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.411 HD21 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.444 ' HB3' ' HE3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 127' ' ' GLU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.31 16.75 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 125' ' ' PRO . 46.0 mt-10 -85.42 -16.89 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.435 HG23 ' HG2' ' A' ' 114' ' ' MET . 45.2 mm -90.11 114.88 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.76 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -78.15 118.2 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.533 ' OXT' ' HD2' ' A' ' 111' ' ' LYS . 52.3 t-80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.934 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.824 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 5.3 mmt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.963 0.411 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.541 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m -97.37 91.91 5.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.236 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.946 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.946 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 HG21 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.01 16.76 13.1 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -135.65 150.31 49.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -151.97 13.24 0.6 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.244 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.88 -33.3 0.65 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.17 82.74 3.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 0.0 111.422 -174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.23 31.08 19.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -60.83 150.46 76.8 Favored Pre-proline 0 C--O 1.236 0.373 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.034 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.49 101.8 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.692 2.261 . . . . 0.0 112.791 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.96 133.48 3.04 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.872 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.14 85.49 1.57 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.108 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.19 114.96 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.796 0.332 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.26 124.0 36.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.938 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.17 116.93 67.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.64 120.24 6.95 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.42 2.08 . . . . 0.0 111.919 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.31 83.59 7.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -66.24 108.71 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.616 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.8 m -131.89 137.79 48.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.959 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.47 -155.21 21.8 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.978 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.9 118.42 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 64.02 98.29 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.986 0.804 . . . . 0.0 110.985 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.67 151.88 19.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.472 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -102.54 97.28 7.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.014 0.435 . . . . 0.0 110.794 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 117.55 52.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.01 161.02 20.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.569 2.179 . . . . 0.0 112.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -120.47 105.99 11.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 0.0 109.621 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -90.81 152.5 44.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.212 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.466 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 6.2 Cg_exo -79.9 116.03 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.057 2.505 . . . . 0.0 111.833 175.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.8 109.75 43.31 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 4.0 Cg_exo -80.75 100.93 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.932 2.421 . . . . 0.0 111.179 174.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 96.59 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.75 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.39 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.49 91.76 1.14 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.828 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.98 -18.47 16.66 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.519 2.146 . . . . 0.0 112.404 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -144.24 148.53 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.392 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.475 HD12 HG21 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG12 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.428 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.743 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.629 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.743 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.453 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.407 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.638 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.555 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.543 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.638 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.543 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 66.7 13.04 9.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -90.58 94.4 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.248 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.92 133.58 4.34 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -156.96 -68.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.732 0.301 . . . . 0.0 111.211 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.1 ptm -67.99 -8.17 35.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.921 -175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.773 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -87.51 -8.61 56.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.534 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 62.95 177.59 0.15 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.315 0.385 . . . . 0.0 110.202 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -65.88 -24.22 66.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.919 -0.488 . . . . 0.0 109.875 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 -67.83 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.679 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.773 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.502 ' HB3' HG23 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.629 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.705 HG12 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.664 ' HE2' HG23 ' A' ' 128' ' ' ILE . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 127' ' ' GLU . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.19 26.67 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 125' ' ' PRO . 55.6 mm-40 -99.46 -19.48 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.567 . . . . 0.0 110.015 176.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.664 HG23 ' HE2' ' A' ' 114' ' ' MET . 4.5 mp -100.44 152.64 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.587 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 128' ' ' ILE . 32.1 ttpt 74.98 109.06 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.008 0.817 . . . . 0.0 110.64 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.361 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 1.5 tmt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 m 179.18 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.334 0.654 . . . . 0.0 109.946 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.657 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.433 ' HB3' HG11 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.657 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.01 41.2 1.51 Allowed Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.79 119.47 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.292 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.59 11.75 4.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.193 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.33 2.72 24.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.561 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 44.72 5.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.55 16.89 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.179 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -55.86 136.35 72.63 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.239 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.31 116.64 3.2 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.048 2.499 . . . . 0.0 112.411 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.47 -29.72 6.03 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.711 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.46 52.03 4.66 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.329 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.91 84.12 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -101.03 168.38 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.981 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.72 54.16 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.99 127.29 24.49 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.907 2.404 . . . . 0.0 112.118 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 150.89 21.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.0 m -69.51 122.3 18.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -56.74 114.62 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.47 -119.26 0.54 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.178 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.71 10.07 29.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 0.0 111.121 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.3 18.02 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.52 55.89 1.69 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.205 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -90.08 88.07 7.13 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . 73.6 133.87 0.04 OUTLIER Pre-proline 0 C--N 1.341 0.236 0 O-C-N 124.171 0.92 . . . . 0.0 111.532 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.8 Cg_exo -68.72 98.04 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.721 2.28 . . . . 0.0 111.76 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -70.6 105.92 3.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.12 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.46 131.65 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.55 112.28 3.51 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 123.265 2.644 . . . . 0.0 111.776 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.517 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.1 mm-40 -79.66 -51.42 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 40' ' ' GLN . 20.9 Cg_endo -60.31 98.77 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.225 1.95 . . . . 0.0 113.197 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -93.33 90.93 6.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.147 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.66 161.66 39.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.845 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.01 91.43 2.44 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.59 -8.15 16.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.705 2.27 . . . . 0.0 112.628 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p -143.61 116.04 8.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.387 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG11 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' HD3' ' HG3' ' A' ' 127' ' ' GLU . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.522 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.626 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.849 ' HE2' ' HA ' ' A' ' 81' ' ' SER . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.706 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' A' ' 74' ' ' MET . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.849 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.485 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.806 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB ' ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.538 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.806 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -69.95 94.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -124.16 103.54 8.32 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.24 -163.86 30.42 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.751 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -175.83 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.6 ptp -73.66 -8.41 55.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.895 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -80.16 -19.3 47.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.056 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t70 58.73 -161.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.361 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -81.42 -20.26 40.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -62.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.354 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.683 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.5 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.722 ' HG2' HG23 ' A' ' 128' ' ' ILE . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.462 ' C ' ' H ' ' A' ' 127' ' ' GLU . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.7 9.5 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.485 ' HG3' ' HD3' ' A' ' 67' ' ' ARG . 39.2 mm-40 -73.23 -29.38 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.427 0.632 . . . . 0.0 110.289 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.722 HG23 ' HG2' ' A' ' 114' ' ' MET . 2.3 mt -122.97 165.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.912 -172.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 63.52 61.76 1.0 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.307 0.575 . . . . 0.0 110.296 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.864 -176.299 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 2' ' ' SER . 24.4 ttt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.593 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m 88.65 88.09 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.163 0.985 . . . . 0.0 110.244 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.765 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' HB3' HG12 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.765 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.54 56.11 0.59 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.575 ' CG ' ' H ' ' A' ' 15' ' ' SER . 8.8 p-10 -82.33 -101.65 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.311 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.575 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 12.7 t 70.0 -56.79 0.57 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.95 0.9 . . . . 0.0 111.898 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.06 64.39 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.88 0.371 . . . . 0.0 111.284 -175.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.64 14.72 8.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.264 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.31 -12.75 56.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.176 0.512 . . . . 0.0 110.509 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 p -76.17 144.68 75.57 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.493 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.94 118.41 5.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.917 2.411 . . . . 0.0 112.601 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.28 -94.01 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.97 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.56 -77.06 0.28 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.593 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.64 93.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.136 0.574 . . . . 0.0 111.965 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.04 131.08 51.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -99.04 130.68 26.87 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.21 -174.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 3.7 Cg_exo -75.23 104.76 1.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 110.853 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.25 127.15 42.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.747 0.308 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -124.77 148.84 47.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -78.68 -2.51 39.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 111.157 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.33 11.22 59.96 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.848 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.7 171.95 18.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.803 0.302 . . . . 0.0 111.232 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 129.95 46.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.509 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.72 121.38 6.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.521 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -94.93 73.65 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.848 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.2 120.78 54.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.466 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -81.42 99.42 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.535 2.157 . . . . 0.0 111.576 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.6 m -85.78 81.31 8.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 110.991 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.08 92.76 2.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.659 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.88 67.83 7.37 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.263 2.642 . . . . 0.0 112.32 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.721 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 50.1 mt-30 -82.87 -56.47 0.48 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 40' ' ' GLN . 2.8 Cg_exo -75.89 97.42 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.029 1.819 . . . . 0.0 112.316 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -166.87 157.02 11.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.576 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.9 -170.94 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.792 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.58 78.04 38.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.48 -13.61 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.514 2.143 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 44.1 m -154.72 129.97 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.811 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB1' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.711 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.479 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.52 ' HA ' HD22 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 70' ' ' ILE . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.545 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.545 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.481 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.455 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 HG12 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.745 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.616 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.745 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 72.73 105.5 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m -152.74 113.93 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.152 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.417 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -140.86 116.33 1.12 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.178 -1.01 . . . . 0.0 113.293 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -163.29 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.986 0.422 . . . . 0.0 110.58 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -73.36 -14.09 61.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.552 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.594 HD21 ' HB2' ' A' ' 105' ' ' MET . 2.4 p-10 -78.46 -17.06 56.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.99 -176.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t0 57.21 -163.44 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.574 ' HA ' ' HE2' ' A' ' 105' ' ' MET . 24.6 m -80.38 -19.48 46.22 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.236 0.541 . . . . 0.0 109.983 174.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.542 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.594 ' HB2' HD21 ' A' ' 100' ' ' ASN . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.52 HD22 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.433 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.514 ' O ' ' HG3' ' A' ' 114' ' ' MET . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.524 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.638 HG12 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.422 HG13 HD11 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.539 ' HD2' HD11 ' A' ' 128' ' ' ILE . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo -65.17 9.44 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 125' ' ' PRO . 41.8 mt-10 -89.4 -25.44 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.371 . . . . 0.0 110.357 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.539 HD11 ' HD2' ' A' ' 125' ' ' PRO . 3.5 mp -96.03 82.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 109.947 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -179.5 101.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.319 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.3 m170 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.079 179.465 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.077 0.465 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -88.87 82.01 6.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 -167.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.976 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.976 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.405 HD12 HD12 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.0 -13.86 53.5 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.52 153.06 33.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.167 0.508 . . . . 0.0 110.725 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -155.35 -37.32 0.09 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.768 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.49 22.65 0.81 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.99 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.42 -51.12 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.993 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.16 -65.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.828 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m 61.19 97.69 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 123.882 0.739 . . . . 0.0 112.074 177.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.5 103.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.615 2.876 . . . . 0.0 113.123 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.59 -41.25 1.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.676 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.23 135.71 4.51 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.261 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.15 128.73 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.321 . . . . 0.0 110.57 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.91 163.45 12.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.644 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.41 149.8 48.37 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.115 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.51 100.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.354 2.036 . . . . 0.0 112.511 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.45 -178.16 3.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.452 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t 42.15 45.57 3.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.186 0.929 . . . . 0.0 111.728 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -101.14 -4.31 27.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.917 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.25 157.41 20.96 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.269 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.69 14.41 9.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.117 0.567 . . . . 0.0 111.484 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.9 130.2 46.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.68 -37.08 61.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.819 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.2 m -131.41 92.64 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -91.52 131.26 36.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.4 Cg_exo -68.77 91.74 0.43 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.853 2.368 . . . . 0.0 112.407 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -97.21 95.92 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.427 0.632 . . . . 0.0 109.884 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -80.88 118.08 70.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.042 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 16.3 Cg_exo -67.93 129.55 19.87 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.717 2.278 . . . . 0.0 111.506 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -116.83 97.59 50.72 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.284 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.04 126.25 7.75 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.01 2.473 . . . . 0.0 111.505 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -149.45 112.47 4.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.35 160.85 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.682 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.2 84.19 13.04 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 121.106 0.479 . . . . 0.0 110.035 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -82.38 3.78 7.56 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.439 2.093 . . . . 0.0 111.948 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -152.62 141.69 21.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.502 ' HB1' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD3' ' HB1' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.65 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.509 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.65 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 10' ' ' ALA . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.557 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD21 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.513 ' HD2' HD21 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.549 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 64.24 24.64 13.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 p -87.98 129.4 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.442 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 154.9 111.91 0.42 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.466 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.22 -64.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 0.0 110.743 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.6 ptp -77.2 -7.76 56.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.307 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.688 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -90.53 1.75 56.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.75 -179.19 0.16 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.546 0.529 . . . . 0.0 110.647 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -71.67 -20.03 62.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.27 -64.83 0.7 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.313 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.688 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.534 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' O ' ' HG3' ' A' ' 114' ' ' MET . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.637 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.637 ' HE1' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.405 HD12 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.474 ' HD2' HD13 ' A' ' 128' ' ' ILE . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.91 2.5 0.76 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 125' ' ' PRO . 8.0 mm-40 -77.1 -31.76 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.721 177.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.474 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.6 mp -90.36 76.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.746 0.784 . . . . 0.0 110.742 -175.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 129' ' ' LYS . 8.3 mmmm -158.46 91.14 1.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.664 173.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.254 -177.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -120.13 92.92 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.613 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.613 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HA ' HG22 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.29 6.25 32.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.0 148.74 32.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m -151.96 24.34 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.17 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.74 -51.48 0.46 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.896 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 -25.42 27.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.78 24.67 10.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.092 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 p -64.3 135.26 96.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.039 -175.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.461 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 21.3 Cg_exo -64.14 112.93 2.02 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.909 2.406 . . . . 0.0 111.737 172.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.1 175.31 44.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.024 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.44 165.24 18.69 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.897 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.96 154.36 51.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -107.54 166.7 10.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.857 0.361 . . . . 0.0 110.154 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 138.95 82.12 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.278 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.52 137.61 78.82 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.633 2.222 . . . . 0.0 111.639 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 93.98 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.109 0.481 . . . . 0.0 111.314 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 t -90.3 128.03 36.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.704 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 71.85 -66.25 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.532 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.94 85.66 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.72 91.31 2.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.44 19.34 9.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.393 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.38 8.68 57.81 Favored Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.792 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -66.52 -31.97 73.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 110.535 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -97.77 117.74 64.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.45 113.37 2.89 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.594 2.196 . . . . 0.0 111.627 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -82.01 96.66 7.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.216 0.532 . . . . 0.0 110.286 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.9 107.24 22.32 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.141 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.49 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 15.7 Cg_exo -68.34 127.69 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.919 2.412 . . . . 0.0 111.546 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.7 106.13 44.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 3.5 Cg_exo -80.43 106.98 1.94 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.704 2.269 . . . . 0.0 110.698 173.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -77.4 -50.04 13.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.71 -178.49 6.89 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.177 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.2 86.92 6.8 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.15 -4.81 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.681 2.254 . . . . 0.0 112.991 -173.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -150.91 144.96 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.454 HG22 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD22 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.691 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.729 ' HB2' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.691 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.596 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.557 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 58.96 93.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 t -150.11 126.31 10.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.571 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.29 158.94 7.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.181 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -142.17 -52.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.02 3.57 37.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.705 0.288 . . . . 0.0 111.739 -173.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -75.61 -20.62 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.713 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 102' ' ' SER . 28.1 t70 62.19 -179.96 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.719 0.637 . . . . 0.0 111.142 177.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 15.2 m -68.91 -19.73 64.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 110.274 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.75 -60.04 4.46 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.791 ' HE3' HD11 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.791 HD11 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.542 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.51 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.456 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.526 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.8 OUTLIER -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.497 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.512 ' HD2' HD11 ' A' ' 128' ' ' ILE . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo -69.72 37.18 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.43 ' CD ' HH22 ' A' ' 67' ' ' ARG . 43.8 mt-10 -123.66 -33.25 3.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.046 0.451 . . . . 0.0 110.412 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.729 HG13 ' HB2' ' A' ' 67' ' ' ARG . 3.6 mp -89.38 79.86 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 110.86 -172.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 4.0 tmmm? 177.18 105.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.244 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.716 177.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.483 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -89.19 84.76 6.53 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 -175.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.588 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.449 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.494 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 HD22 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 25.64 7.57 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -138.09 131.35 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.0 110.103 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 t -153.72 27.51 0.49 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.95 -31.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.484 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.01 -41.4 5.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 128.81 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 m -143.63 98.95 5.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.436 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.48 125.82 11.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.267 2.645 . . . . 0.0 112.906 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 -56.85 3.41 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.045 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.49 2.03 87.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.552 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.53 75.72 6.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.144 0.497 . . . . 0.0 111.133 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -139.59 119.42 13.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.179 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.89 139.62 24.67 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.37 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.86 121.32 8.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.704 2.269 . . . . 0.0 111.273 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.45 106.43 17.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.3 m 68.65 118.71 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.675 0.609 . . . . 0.0 112.113 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m 75.35 112.8 0.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.671 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.17 164.78 38.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.32 78.94 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.859 0.33 . . . . 0.0 110.907 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 58.71 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.724 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.66 22.83 0.72 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 m -102.44 109.16 20.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.147 0.498 . . . . 0.0 111.089 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.25 144.99 30.07 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.004 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.14 106.5 0.39 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 111.939 178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -79.93 91.01 5.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.234 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -103.93 -55.41 0.1 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.251 177.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 58.7 Cg_endo -73.37 111.87 3.39 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.575 1.517 . . . . 0.0 111.956 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -112.29 100.73 50.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.86 132.96 20.88 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.257 1.972 . . . . 0.0 111.105 174.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -90.99 101.35 14.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.16 -169.1 0.2 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.427 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.61 82.14 33.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.29 -7.0 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.554 2.169 . . . . 0.0 112.732 -174.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -147.47 141.73 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.532 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 57' ' ' VAL . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' HD23 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CH2' ' HA ' ' A' ' 50' ' ' ALA . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.513 ' HG3' HG22 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.41 HD13 HD23 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.523 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.725 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.725 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.604 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.588 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.604 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.449 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 112' ' ' GLN . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 71.11 105.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -136.58 115.53 12.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.391 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -131.41 53.39 0.81 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.29 -149.21 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 20.0 ptp -72.49 0.94 8.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.724 0.297 . . . . 0.0 111.212 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.54 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 3.1 p-10 -67.03 -25.78 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.539 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 64.1 173.3 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.019 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.528 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 15.3 m -63.08 -20.99 65.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.468 . . . . 0.0 110.208 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.96 -53.04 61.64 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.528 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 HD13 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.445 ' HB3' HD12 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 127' ' ' GLU . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.01 -0.89 1.38 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.432 ' HB2' HD11 ' A' ' 128' ' ' ILE . 25.7 mm-40 -63.93 -37.29 86.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.381 0.61 . . . . 0.0 109.98 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 124' ' ' LEU . 4.2 mp -97.73 93.75 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.608 ' HA ' ' HE2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -84.66 85.57 7.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.568 0.699 . . . . 0.0 109.715 -179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.254 177.413 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.664 ' SD ' ' HE3' ' A' ' 6' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.949 0.404 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m -90.22 100.51 13.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.088 -173.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.553 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.664 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.46 19.01 24.71 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -97.95 142.89 29.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.186 0.517 . . . . 0.0 111.267 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 m -152.77 10.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.969 171.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.15 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.77 106.18 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.914 -0.491 . . . . 0.0 111.407 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.39 23.53 9.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -67.3 148.74 98.69 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.634 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 19.0 Cg_endo -58.85 137.7 81.45 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.145 2.563 . . . . 0.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.45 -116.49 5.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.806 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.07 54.17 18.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.688 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 109.97 17.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.859 0.361 . . . . 0.0 110.406 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -124.8 101.62 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.79 137.08 85.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.88 0.372 . . . . 0.0 111.445 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -65.18 111.88 1.91 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.76 2.307 . . . . 0.0 111.418 175.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.48 119.8 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.434 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -86.5 164.91 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.544 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -69.1 87.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 111.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.73 86.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.648 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 87.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -176.89 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.563 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.87 39.19 1.45 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.859 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 m -86.27 121.69 29.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.968 0.413 . . . . 0.0 111.124 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.31 136.25 19.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.942 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.93 94.48 0.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.69 2.26 . . . . 0.0 112.022 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.427 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 4.8 t -84.83 56.55 3.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.27 101.12 33.12 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.646 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 37' ' ' THR . 4.5 Cg_exo -74.07 93.57 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.659 2.239 . . . . 0.0 112.065 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 98.3 mt-30 -91.76 127.87 48.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 26.7 Cg_exo -62.53 102.39 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.895 2.397 . . . . 0.0 112.769 -176.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.3 p -80.52 85.17 5.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 110.594 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.18 162.99 30.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.237 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.71 84.61 5.93 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.319 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.23 -3.53 12.16 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.706 2.271 . . . . 0.0 111.476 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -153.15 146.58 24.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.961 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.496 ' HB3' ' HG3' ' A' ' 20' ' ' PRO . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB2' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.634 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.667 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 53' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.7 HD11 ' HB1' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.504 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD23 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.513 HD23 HD12 ' A' ' 70' ' ' ILE . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.476 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.7 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.476 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD11 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.69 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 71.51 109.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 m -137.79 135.68 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.444 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.486 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . 164.02 124.4 0.71 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.365 -0.921 . . . . 0.0 112.786 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -147.82 -63.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.083 0.468 . . . . 0.0 110.105 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -90.05 -17.72 27.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.073 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.809 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -83.24 -4.91 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.807 -176.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.438 ' CG ' ' H ' ' A' ' 102' ' ' SER . 12.1 t70 59.61 -167.09 0.17 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.376 0.422 . . . . 0.0 110.171 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.438 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 49.6 m -83.06 -17.56 42.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 109.886 177.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.52 1.79 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.216 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.809 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.517 HG21 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' HG21 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.685 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.853 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HB3' HD13 ' A' ' 93' ' ' LEU . 7.6 tp-100 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.853 ' HE1' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HZ3' ' CG ' ' A' ' 48' ' ' ASP . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.467 ' HD2' HD13 ' A' ' 128' ' ' ILE . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.47 27.08 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 125' ' ' PRO . 35.3 mt-10 -105.1 -16.54 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.297 0.57 . . . . 0.0 109.864 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' A' ' 129' ' ' LYS . 2.7 mp -92.83 87.9 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.726 -174.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 128' ' ' ILE . 24.4 mtpt 173.22 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.058 1.343 . . . . 0.0 108.525 173.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.244 0.775 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.029 -171.33 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.527 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m -170.78 82.51 0.09 Allowed 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.82 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.82 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.86 -15.27 31.75 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.82 174.4 7.27 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.094 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -156.47 11.65 0.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.61 -33.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.22 150.09 21.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.566 0.222 . . . . 0.0 111.19 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB2' ' HA ' ' A' ' 52' ' ' ILE . . . 65.1 18.53 11.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.024 174.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -74.87 123.68 89.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.587 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 72.4 Cg_endo -76.54 154.33 35.33 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.788 2.325 . . . . 0.0 112.463 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.42 -161.41 31.26 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.0 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.43 113.38 2.59 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.774 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.67 109.18 21.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.3 149.85 22.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -62.13 131.98 93.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.293 -178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 52.0 Cg_exo -55.9 126.49 22.6 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.875 2.383 . . . . 0.0 112.151 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.9 167.46 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -145.36 156.78 43.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.8 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -112.68 -20.88 11.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.05 173.89 42.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.097 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.29 -167.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.042 0.537 . . . . 0.0 111.668 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.47 108.2 20.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.029 0.442 . . . . 0.0 110.37 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.7 78.42 0.25 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.781 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -67.34 104.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.323 0.583 . . . . 0.0 110.698 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.52 151.17 40.88 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.061 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.97 133.32 54.98 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.629 2.219 . . . . 0.0 111.566 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 p -79.46 111.47 15.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.163 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.2 98.12 51.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.33 108.81 2.79 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.913 2.409 . . . . 0.0 111.273 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.73 118.18 69.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.432 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.32 132.47 33.86 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.728 2.285 . . . . 0.0 112.112 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -80.34 95.45 6.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.559 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.32 167.6 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.756 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.44 84.93 8.94 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.47 -27.39 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.689 2.259 . . . . 0.0 113.028 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m -153.67 139.91 18.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 18' ' ' ALA . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.519 HD11 HD23 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.544 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.547 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.547 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.786 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.786 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.534 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 71.87 108.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -135.79 89.86 2.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.573 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -159.08 117.85 0.8 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -147.65 -69.27 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.995 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -99.66 4.11 45.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.084 0.468 . . . . 0.0 111.053 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 1.047 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.2 p-10 -94.14 -4.75 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 54.33 -150.1 0.41 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.3 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -89.06 -19.95 24.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.971 0.415 . . . . 0.0 110.07 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.54 2.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.499 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 1.047 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.438 HD22 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.534 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.468 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.492 ' O ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 127' ' ' GLU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.27 31.39 0.17 Allowed 'Trans proline' 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 125' ' ' PRO . 30.4 mt-10 -119.36 -11.56 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.482 ' HB ' HD23 ' A' ' 124' ' ' LEU . 20.9 mm -92.88 138.6 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.725 -172.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.72 ' HZ2' ' HB3' ' A' ' 129' ' ' LYS . 4.2 ttpm? 73.2 -42.94 0.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.915 0.76 . . . . 0.0 110.838 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 128' ' ' ILE . 60.0 t-80 . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.859 0.725 . . . . 0.0 109.53 -175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 2' ' ' SER . 16.6 ttt . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.663 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m 92.8 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.549 1.14 . . . . 0.0 111.601 171.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.611 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.611 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.428 ' HE2' ' HB2' ' A' ' 8' ' ' MET . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.09 -3.66 90.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.512 ' OD2' ' HB2' ' A' ' 17' ' ' ALA . 13.0 t70 -98.64 119.79 37.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.314 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -126.57 -9.27 6.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.145 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.9 41.64 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' ' OD2' ' A' ' 14' ' ' ASP . . . -127.88 -68.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.106 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.66 9.46 39.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.341 . . . . 0.0 110.656 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -52.31 126.2 36.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.406 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HG3' ' HG2' ' A' ' 51' ' ' PRO . 22.3 Cg_endo -61.76 104.09 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.658 2.239 . . . . 0.0 112.303 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.96 72.91 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.045 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 107.27 2.99 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.072 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.83 93.44 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.996 0.427 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.33 90.07 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.89 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.11 127.17 26.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.61 48.57 2.64 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.918 2.412 . . . . 0.0 112.386 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.31 20.53 18.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.758 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -83.82 106.08 15.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.727 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -75.7 -33.72 60.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.818 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.27 -108.65 0.27 Allowed Glycine 0 C--O 1.227 -0.327 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.51 -5.56 48.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.781 0.801 . . . . 0.0 108.974 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.59 164.99 20.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.174 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.16 87.21 0.1 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 m -83.83 94.4 8.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.232 0.539 . . . . 0.0 110.251 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.46 120.55 73.22 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.132 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.99 107.39 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -77.32 92.32 3.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.686 0.755 . . . . 0.0 110.844 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.82 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -93.24 -56.47 0.23 Allowed Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.52 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.82 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 32.1 Cg_endo -94.34 102.63 0.13 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.424 2.083 . . . . 0.0 111.51 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -129.68 90.98 41.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.777 0.322 . . . . 0.0 110.838 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.11 100.61 1.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.813 2.342 . . . . 0.0 111.487 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 m -100.67 80.86 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.391 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.68 161.05 23.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.379 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 87.39 7.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.41 -1.17 10.91 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 -177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -153.27 134.7 14.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.821 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.491 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.675 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.562 ' HA ' HD22 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.675 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG21 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.445 ' H ' HG21 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.79 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.529 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.79 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.539 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 61.43 34.74 18.04 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.1 m -75.88 76.4 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.16 0.505 . . . . 0.0 110.66 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.425 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -137.38 119.06 1.81 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -151.86 -85.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.617 0.246 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -90.06 7.76 36.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.09 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.875 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.5 p-10 -83.36 -18.41 38.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.438 174.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 58.75 -172.4 0.1 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.472 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -61.64 -30.27 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.35 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.532 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.875 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.562 HD22 ' HA ' ' A' ' 69' ' ' SER . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HB3' HG22 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.671 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.631 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 120' ' ' ASN . 0.9 OUTLIER -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.515 HD13 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 127' ' ' GLU . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.87 11.35 0.12 Allowed 'Trans proline' 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 125' ' ' PRO . 28.0 mt-10 -91.0 -26.57 19.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.5 mp -99.69 107.35 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.087 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HA ' ' HE2' ' A' ' 129' ' ' LYS . 7.2 mmpt? -138.08 -9.76 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.949 -173.666 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.663 0.268 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -153.88 99.41 2.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HG12 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.37 20.62 49.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -71.29 158.15 36.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.621 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.3 t -178.0 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.274 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 13.12 10.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.795 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 74.13 70.28 0.11 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.082 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.55 -27.02 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.822 169.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.535 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 32.4 m -65.09 161.58 46.92 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.412 173.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 18.7 Cg_endo -58.96 100.85 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.692 2.261 . . . . 0.0 112.916 -177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.56 15.35 5.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.964 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.44 179.11 19.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.04 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.86 101.17 4.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -98.83 161.17 13.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 0.0 111.374 -174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 27' ' ' ALA . . . -102.88 159.12 30.29 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.654 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.34 34.91 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.249 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 25' ' ' ALA . . . -179.27 98.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.278 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -85.72 27.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.93 0.395 . . . . 0.0 111.564 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.2 m -104.33 102.25 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.11 -38.14 2.55 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.8 172.82 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 133.28 43.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.7 -159.85 11.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.13 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 150.56 46.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.33 111.0 64.05 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.894 0.378 . . . . 0.0 111.049 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.74 121.98 3.39 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.094 2.529 . . . . 0.0 110.763 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -86.28 103.7 15.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.864 0.84 . . . . 0.0 110.692 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.23 109.97 12.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.04 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.28 108.99 0.56 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.77 2.314 . . . . 0.0 112.541 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 78.3 mt-30 -83.13 121.77 77.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.785 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 22.5 Cg_exo -64.47 137.3 54.59 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.812 2.341 . . . . 0.0 111.969 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -147.22 136.56 22.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.133 0.492 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.22 169.62 16.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.554 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.37 80.98 15.93 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 110.221 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.15 -13.75 11.14 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.286 1.99 . . . . 0.0 111.952 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 128.45 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.531 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB3' ' HZ3' ' A' ' 58' ' ' LYS . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.549 ' HB2' HG21 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' HG3' ' HG ' ' A' ' 69' ' ' SER . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.569 ' HG ' ' HG3' ' A' ' 65' ' ' GLU . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.533 ' HA ' ' HE2' ' A' ' 74' ' ' MET . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.744 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.533 ' HE2' ' HA ' ' A' ' 71' ' ' VAL . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 79' ' ' ILE . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.823 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.555 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -69.7 116.37 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.61 21.04 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 0.0 111.084 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.32 161.51 21.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.736 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.37 -64.97 0.39 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.943 0.401 . . . . 0.0 110.999 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.7 -0.7 27.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.096 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.605 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.0 p-10 -79.35 -10.6 59.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.368 . . . . 0.0 110.361 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.51 -166.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.957 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.457 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 49.3 m -73.63 -16.49 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.848 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.1 -65.78 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.605 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.457 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.538 ' HA ' HD11 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.555 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.2 tp-100 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.593 HG22 HD23 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.555 ' HE3' HG21 ' A' ' 128' ' ' ILE . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 114' ' ' MET . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.495 HD11 ' N ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.529 ' HD2' HD11 ' A' ' 128' ' ' ILE . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.77 -1.06 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.19 -19.32 28.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.997 0.427 . . . . 0.0 110.097 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.555 HG21 ' HE3' ' A' ' 114' ' ' MET . 3.4 mp -96.89 135.28 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.966 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.459 ' HD3' ' C ' ' A' ' 129' ' ' LYS . 12.3 tmtt? 65.95 95.53 0.06 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.716 0.769 . . . . 0.0 110.557 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.23 174.797 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.647 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.647 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.666 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 83' ' ' LEU . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.595 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.638 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.568 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.866 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.602 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 117' ' ' LEU . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.684 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.439 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.484 ' H ' ' HA ' ' A' ' 75' ' ' LYS . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 79' ' ' ILE . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.589 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' HG3' HD22 ' A' ' 93' ' ' LEU . 48.8 tp60 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 11' ' ' ILE . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.455 HG12 HG21 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 21.0 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.622 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HG21 ' A' ' 52' ' ' ILE . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 121.246 0.546 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 11' ' ' ILE . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.697 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.574 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 81' ' ' SER . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.704 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.576 ' HA ' HD13 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 118' ' ' VAL . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.6 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.997 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 118' ' ' VAL . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.54 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.888 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.677 0.275 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.557 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 12' ' ' PHE . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 22.0 Cg_exo . . . . . 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 1.038 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 1.038 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 117' ' ' LEU . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG21 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 64' ' ' LEU . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.524 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.771 0.319 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.606 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD11 HD12 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 17.3 Cg_exo . . . . . 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.74 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 3' ' ' ILE . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.811 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.811 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.576 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 118' ' ' VAL . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' SER . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 79' ' ' ILE . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.583 ' HB1' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.583 ' HD1' ' HB1' ' A' ' 90' ' ' ALA . 51.3 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.49 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.6 tp60 -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.402 ' O ' HD23 ' A' ' 124' ' ' LEU . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.577 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.95 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.95 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.685 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.564 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 93' ' ' LEU . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.533 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HB ' HD13 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' C ' ' HE3' ' A' ' 55' ' ' LYS . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.659 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.546 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' HG21 ' A' ' 3' ' ' ILE . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.509 ' H ' HG22 ' A' ' 79' ' ' ILE . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 . . . . . 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.54 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 108' ' ' TRP . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 108' ' ' TRP . 13.3 mm100 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.2 Cg_exo . . . . . 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.6 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.728 0.775 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.584 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.584 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.955 0.407 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' HG ' HD12 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 93' ' ' LEU . 49.0 tp60 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.546 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.542 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.938 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HB3' HG13 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.938 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB2' HG13 ' A' ' 57' ' ' VAL . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.519 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.79 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 81' ' ' SER . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.582 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.989 0.423 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.628 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.495 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.686 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' HG13 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.686 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.725 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 117' ' ' LEU . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.644 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 81' ' ' SER . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.817 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.482 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.868 0.366 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.515 ' O ' HG22 ' A' ' 118' ' ' VAL . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 11' ' ' ILE . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.616 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.441 0.639 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.67 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 44.1 m . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.717 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' H ' ' A' ' 64' ' ' LEU . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.573 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.485 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.404 HH11 HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.57 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.95 0.405 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.522 HD21 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.616 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.51 HG11 HD12 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 46' ' ' SER . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.51 HD12 HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo . . . . . 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.988 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.988 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.41 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' H ' ' A' ' 64' ' ' LEU . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' H ' HG11 ' A' ' 57' ' ' VAL . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.659 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.659 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 53' ' ' LEU . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 81' ' ' SER . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.566 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HD2' HD22 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.031 0.443 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' HA ' HD13 ' A' ' 70' ' ' ILE . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.671 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 114' ' ' MET . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 27.4 Cg_exo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.631 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.471 HG21 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' HD21 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 81' ' ' SER . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.624 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.539 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.798 ' HE3' HD12 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.798 HD12 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.465 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo . . . . . 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.625 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.507 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 ' HA ' ' A' ' 11' ' ' ILE . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 11' ' ' ILE . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD21 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.527 ' HG3' HG23 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 HD21 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.553 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.621 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 109' ' ' LEU . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.482 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 124' ' ' LEU . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.582 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.604 ' CD ' ' HA ' ' A' ' 3' ' ' ILE . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 64' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.509 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' H ' ' A' ' 79' ' ' ILE . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.76 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 107' ' ' ILE . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.536 HG22 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.701 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.875 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.538 ' HB3' HD13 ' A' ' 93' ' ' LEU . 44.5 tp60 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.875 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.162 0.06 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.843 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.843 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.552 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' HD21 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.532 HD12 HD21 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.423 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.578 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.796 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 107' ' ' ILE . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.587 HD21 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 104' ' ' SER . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.495 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.535 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.65 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.716 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.682 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 74' ' ' MET . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.715 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 71' ' ' VAL . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.556 ' H ' HG22 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.797 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 3' ' ' ILE . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.797 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.682 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.523 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.7 Cg_exo . . . . . 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HB3' HG13 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' HG21 ' A' ' 3' ' ' ILE . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.664 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.843 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.573 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.843 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.556 ' HA ' HD13 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.582 ' HG3' HD22 ' A' ' 93' ' ' LEU . 51.9 tp60 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.612 HG21 HD21 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 118' ' ' VAL . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.525 HG11 HD12 ' A' ' 124' ' ' LEU . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 124' ' ' LEU . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.529 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 28.0 Cg_exo . . . . . 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -120.69 95.9 4.9 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.647 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.647 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.95 35.95 3.24 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.3 107.34 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 110.023 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -133.71 10.41 3.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.226 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 8.73 20.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.016 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.1 34.4 13.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.659 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.36 -74.92 0.5 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.88 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 50.8 m 57.15 178.25 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 123.476 0.485 . . . . 0.0 112.179 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 14.9 Cg_exo -69.8 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 121.987 1.792 . . . . 0.0 111.707 168.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.57 36.03 54.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.268 175.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.6 -18.81 7.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.054 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.34 42.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 110.95 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -110.53 171.68 7.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.849 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -104.2 131.45 21.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.384 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 30.3 Cg_exo -62.29 150.03 88.54 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.921 2.414 . . . . 0.0 112.444 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 153.42 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -73.74 147.99 43.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.519 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -119.57 -165.95 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.285 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.42 -91.03 0.45 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.34 45.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.59 90.01 2.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.237 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.55 0.43 7.41 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -83.59 91.01 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.172 0.51 . . . . 0.0 111.433 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -173.46 137.38 0.73 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.905 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 32.4 Cg_exo -62.17 145.03 96.42 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.758 2.305 . . . . 0.0 111.985 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -124.66 77.72 1.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.351 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -130.44 78.02 74.96 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.47 96.97 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.999 2.466 . . . . 0.0 111.965 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 pt20 -89.27 125.91 60.35 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 51.6 Cg_exo -56.26 141.68 88.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.924 2.416 . . . . 0.0 112.869 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -97.56 106.43 18.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.159 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 160.16 28.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.367 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.69 86.78 4.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.872 0.367 . . . . 0.0 110.094 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.52 -15.09 17.67 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.339 2.026 . . . . 0.0 110.89 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t -114.95 130.65 56.97 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.203 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.666 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 83' ' ' LEU . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.595 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 70.73 124.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.1 t -138.45 108.27 6.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.11 57.75 0.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.573 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.93 -87.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.845 -0.209 . . . . 0.0 110.489 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -112.23 -2.7 14.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.431 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.946 -174.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 105' ' ' MET . 5.4 t70 55.01 -158.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.663 0.602 . . . . 0.0 109.815 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 17.5 m -77.99 -17.69 56.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.208 -0.308 . . . . 0.0 110.605 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.77 2.28 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.766 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.638 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.568 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 1.094 ' HG2' HD13 ' A' ' 128' ' ' ILE . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.32 -6.51 6.85 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.678 ' HG2' HD12 ' A' ' 128' ' ' ILE . 3.1 pm0 -108.37 -6.1 16.4 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.503 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 1.094 HD13 ' HG2' ' A' ' 125' ' ' PRO . 2.7 mp -97.06 101.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.252 0.549 . . . . 0.0 109.646 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 1.9 tpmt? -155.62 93.11 1.45 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.261 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.634 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 24.5 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.372 0.13 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 1' ' ' MET . 48.8 m 81.26 90.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.324 0.65 . . . . 0.0 109.963 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.866 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.602 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 117' ' ' LEU . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.71 29.23 5.01 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.41 123.1 18.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.45 0.643 . . . . 0.0 111.735 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.2 t -139.97 17.54 2.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.614 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.64 -37.26 4.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.749 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.35 -32.56 13.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.892 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.63 3.19 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.398 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.482 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 22.7 m 71.71 159.16 0.16 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.822 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 16.1 Cg_endo -57.19 136.14 74.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.563 2.175 . . . . 0.0 112.341 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -152.38 20.38 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.131 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.37 130.65 2.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.39 122.83 23.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.684 0.278 . . . . 0.0 110.668 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -139.01 117.61 12.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.188 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.94 120.0 59.62 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.733 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.64 146.97 89.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.828 2.352 . . . . 0.0 111.646 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.07 61.68 2.66 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.596 0.56 . . . . 0.0 111.508 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -81.18 0.42 36.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.9 p -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.528 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 130.65 48.47 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.636 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.8 -38.33 58.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.883 0.373 . . . . 0.0 111.247 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.43 79.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.8 -80.67 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 113.747 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p 46.42 73.38 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.363 0.665 . . . . 0.0 111.035 -171.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -92.24 115.0 63.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.217 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_endo -88.38 174.26 4.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.862 2.375 . . . . 0.0 112.208 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 9.2 t -128.28 113.43 15.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -76.67 110.98 13.24 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.197 -176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 55.3 Cg_endo -99.8 106.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.665 2.91 . . . . 0.0 112.661 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -97.26 129.83 31.09 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 108.62 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.884 2.39 . . . . 0.0 111.928 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -85.27 -26.87 26.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.725 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.7 146.31 33.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.332 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 83.76 8.91 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.883 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -84.7 -63.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.63 2.22 . . . . 0.0 113.002 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p -78.58 127.98 32.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.023 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.684 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.439 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.484 ' H ' ' HA ' ' A' ' 75' ' ' LYS . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 79' ' ' ILE . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.589 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 54.4 82.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -131.63 125.84 33.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.7 145.98 5.09 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.188 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -169.79 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.744 0.307 . . . . 0.0 110.422 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -67.48 -18.76 65.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.144 0.497 . . . . 0.0 111.247 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.938 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -80.15 -14.06 58.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.199 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 t70 51.97 -155.14 0.17 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.725 0.64 . . . . 0.0 111.147 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -68.9 -31.49 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.575 0.35 . . . . 0.0 111.385 -175.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -59.96 3.61 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.877 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.938 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' HG3' HD22 ' A' ' 93' ' ' LEU . 48.8 tp60 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 11' ' ' ILE . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.455 HG12 HG21 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 127' ' ' GLU . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 21.0 Cg_exo -66.09 15.43 0.1 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 125' ' ' PRO . 21.8 mt-10 -85.7 -23.75 27.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.26 0.552 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.26 76.82 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.075 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -160.01 79.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.13 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.169 -0.919 . . . . 0.0 109.474 178.192 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.379 0.133 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m -156.25 59.47 0.57 Allowed 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.622 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HG21 ' A' ' 52' ' ' ILE . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.57 8.14 43.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -83.36 117.93 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.522 0.677 . . . . 0.0 111.441 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 m -146.05 21.21 1.41 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.626 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.96 -27.6 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.064 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.59 88.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.061 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.18 -75.15 0.6 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 m 59.25 90.06 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.8 0.688 . . . . 0.0 111.623 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.12 123.93 10.82 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.647 2.231 . . . . 0.0 112.514 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.07 131.18 1.69 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.75 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.417 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.22 157.13 18.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.796 0.331 . . . . 0.0 110.573 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -93.13 150.15 20.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.09 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.06 131.35 89.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 50.0 Cg_exo -53.76 104.29 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.801 2.334 . . . . 0.0 112.582 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.14 173.53 10.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.398 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -73.94 113.65 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 110.948 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -132.83 155.61 48.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.068 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.12 126.74 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.462 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.07 5.41 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 0.0 110.782 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 125.37 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.368 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 -105.24 2.4 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m 60.26 89.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.0 111.153 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -87.5 118.4 69.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_exo -71.35 105.88 1.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.689 2.259 . . . . 0.0 111.636 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -80.87 -19.89 43.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.402 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.52 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.462 0.171 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.584 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.77 11.93 2.36 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.002 2.468 . . . . 0.0 112.416 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 15.1 mm-40 71.12 149.2 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 111.603 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 19.8 Cg_exo -65.47 132.79 32.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.754 2.303 . . . . 0.0 112.32 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.6 m -116.34 120.47 39.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.086 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 159.0 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.7 81.51 10.88 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 110.65 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -81.68 -11.03 11.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.541 2.161 . . . . 0.0 111.504 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -109.98 109.36 19.92 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.983 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 11' ' ' ILE . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.697 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.574 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 81' ' ' SER . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.704 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 64.08 29.95 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -79.76 37.73 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.849 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.63 153.19 10.09 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.889 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.79 -36.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 110.643 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -66.76 -7.49 21.6 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.787 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.1 p-10 -69.08 -21.96 64.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.495 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 65.91 170.73 0.22 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 4.3 m -57.08 -27.21 61.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.83 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -59.16 4.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.589 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.582 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.576 ' HA ' HD13 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 118' ' ' VAL . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.6 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.35 5.92 0.47 Allowed 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -75.52 -27.09 58.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.308 0.575 . . . . 0.0 109.801 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 128' ' ' ILE . 4.1 mp -115.53 100.04 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.014 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.753 ' HD2' ' N ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -73.63 -50.71 19.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.478 -177.246 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.753 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.187 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m 89.81 75.45 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.966 0.906 . . . . 0.0 110.987 168.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 118' ' ' VAL . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.65 -1.41 37.14 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -106.76 158.03 17.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.84 0.352 . . . . 0.0 110.2 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 m -151.38 18.94 0.74 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.22 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.92 -39.86 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -59.38 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.727 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -133.49 132.98 41.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -176.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -152.88 102.58 2.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.02 147.48 23.9 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.334 2.022 . . . . 0.0 112.723 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.41 -148.5 19.77 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.751 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.64 70.07 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.95 140.91 29.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.665 0.269 . . . . 0.0 110.298 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -106.05 138.91 41.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.182 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -64.64 140.32 97.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -64.87 91.56 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.599 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.16 102.86 6.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.463 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 m -133.74 150.12 51.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -61.06 -33.59 73.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.15 -104.06 0.51 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.46 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.562 . . . . 0.0 110.224 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.29 103.69 15.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.838 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.28 60.56 0.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.39 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -67.62 114.88 6.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.022 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.72 142.46 40.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.402 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.73 128.93 29.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.779 2.319 . . . . 0.0 112.196 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -92.09 29.78 1.56 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.204 0.526 . . . . 0.0 111.363 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 102.64 52.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -89.98 127.1 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.324 2.683 . . . . 0.0 111.748 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 61.7 tt0 -102.75 115.33 64.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 6.0 Cg_exo -80.36 117.55 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.216 2.61 . . . . 0.0 111.829 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.7 m -144.2 130.19 19.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.27 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.44 172.72 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.474 0.654 . . . . 0.0 112.23 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.23 90.42 6.71 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.48 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.75 12.58 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.909 2.406 . . . . 0.0 113.395 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -152.17 135.26 15.74 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.569 HG12 ' HB3' ' A' ' 18' ' ' ALA . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.54 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.888 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 71.18 105.29 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -142.06 102.06 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.93 77.08 0.2 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.98 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.11 -77.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.4 ptp -74.4 -26.11 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.269 0.557 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.932 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 5.4 p-10 -87.59 -9.22 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.157 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t70 52.46 -152.05 0.27 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.781 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -80.31 -29.31 38.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.898 0.38 . . . . 0.0 110.979 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.36 3.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.739 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.932 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.557 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 12' ' ' PHE . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 127' ' ' GLU . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 22.0 Cg_exo -66.66 15.41 0.11 Allowed 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 125' ' ' PRO . 7.4 mm-40 -83.79 -20.99 32.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.759 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 128' ' ' ILE . 4.0 mp -96.63 83.29 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.574 0.702 . . . . 0.0 109.716 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.619 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -164.49 94.22 0.69 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.365 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.823 179.015 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -173.2 93.91 0.11 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.117 0.567 . . . . 0.0 109.881 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 1.038 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.038 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 117' ' ' LEU . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.7 -15.54 61.42 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.5 110.52 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.304 0.573 . . . . 0.0 111.021 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m -128.06 -9.73 5.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.222 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.94 16.05 0.11 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.956 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.18 -43.93 7.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.27 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.28 -79.35 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.131 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m 65.73 142.1 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 123.864 0.728 . . . . 0.0 112.049 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.52 106.04 1.55 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.65 2.233 . . . . 0.0 112.82 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.45 -163.43 33.98 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.7 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 -104.71 0.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.742 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.76 78.51 0.17 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.254 0.549 . . . . 0.0 110.423 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -110.2 124.1 50.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.35 149.63 36.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.97 112.42 2.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.455 2.103 . . . . 0.0 111.972 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.22 162.37 13.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 -177.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m 64.68 27.83 13.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.685 0.755 . . . . 0.0 110.535 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.4 p -78.83 -71.8 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.96 21.0 5.32 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.94 166.98 31.82 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 134.95 56.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.58 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.53 0.62 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.734 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -73.17 -32.94 65.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.501 0.191 . . . . 0.0 110.684 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 71.17 152.48 0.14 Allowed Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.855 0.722 . . . . 0.0 111.852 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.15 102.37 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.404 2.069 . . . . 0.0 112.439 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.59 83.99 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.216 0.531 . . . . 0.0 110.968 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.79 101.12 52.3 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.619 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.87 144.04 47.07 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.513 2.142 . . . . 0.0 111.726 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -156.6 145.32 14.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.072 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.24 121.9 10.32 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.876 2.384 . . . . 0.0 111.59 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.5 m -83.6 85.62 7.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 111.367 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.45 165.44 11.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.355 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -135.13 82.1 42.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -89.23 9.65 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.926 2.418 . . . . 0.0 111.866 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m -145.33 106.18 4.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.996 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG21 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 64' ' ' LEU . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.524 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 61.84 79.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -137.22 91.53 2.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.006 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.33 101.27 0.2 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.185 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -147.61 -78.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -88.71 1.95 54.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.1 p-10 -96.21 -1.78 47.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 62.47 174.29 0.14 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.085 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -64.71 -21.32 66.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.32 -59.48 4.36 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.458 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.606 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD11 HD12 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 17.3 Cg_exo -68.51 33.43 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 128' ' ' ILE . 27.8 mt-10 -106.67 -30.39 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 177.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.2 mp -111.11 85.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.024 -169.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 10.0 ttpt 172.21 124.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.028 169.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.848 174.162 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 27.1 ttt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.819 0.342 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.74 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m 80.27 95.85 0.05 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.201 173.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 3' ' ' ILE . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.3 21.96 9.11 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.8 145.35 44.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.698 0.285 . . . . 0.0 110.419 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -147.55 31.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.32 -36.46 0.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.04 -48.61 4.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB1' HG12 ' A' ' 52' ' ' ILE . . . -96.46 1.56 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -69.96 134.35 87.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 37.2 Cg_endo -67.11 104.53 0.87 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.795 2.33 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.72 150.79 19.6 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.71 73.37 1.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.181 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.44 104.37 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.715 0.293 . . . . 0.0 110.345 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.13 151.03 47.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.517 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -81.1 143.54 53.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 21.5 Cg_exo -65.0 164.6 24.3 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.756 2.304 . . . . 0.0 112.096 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 125.04 23.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.397 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m 74.14 -42.08 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.414 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.832 ' HB ' ' HB3' ' A' ' 32' ' ' ALA . 1.7 p -82.16 77.74 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.35 0.595 . . . . 0.0 111.351 -177.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.38 115.2 7.57 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.697 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.06 13.33 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 123.071 0.548 . . . . 0.0 112.002 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 29' ' ' THR . . . -89.76 -10.48 45.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.106 0.479 . . . . 0.0 110.784 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.24 110.93 3.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.128 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -63.05 131.55 48.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.661 0.267 . . . . 0.0 111.311 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 119.31 4.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -80.42 128.07 6.87 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.243 . . . . 0.0 112.52 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.0 m -86.4 89.01 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.286 0.565 . . . . 0.0 110.197 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.57 84.74 18.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.701 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.82 -24.83 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.406 2.07 . . . . 0.0 112.7 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 51.24 78.3 0.41 Allowed Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.923 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -61.19 102.65 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.932 2.422 . . . . 0.0 112.426 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -150.25 17.75 0.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.693 0.758 . . . . 0.0 109.731 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.04 147.12 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.407 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.13 90.2 0.96 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.923 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.79 -58.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.35 2.034 . . . . 0.0 112.86 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -152.88 161.84 42.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.42 HG12 ' HB1' ' A' ' 18' ' ' ALA . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.811 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.811 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.576 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 63.29 83.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -125.44 118.77 26.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.238 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.9 159.94 23.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.913 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -158.62 -68.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -111.33 21.21 16.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 1.018 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -92.88 -31.39 14.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.8 t70 61.98 -178.84 0.13 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 46.0 m -63.75 -25.42 68.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.195 -0.316 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.24 -59.73 4.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 1.018 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.523 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.654 ' CE1' ' HA ' ' A' ' 130' ' ' HIS . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.536 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.658 ' HG3' ' HB2' ' A' ' 130' ' ' HIS . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD2' HG12 ' A' ' 128' ' ' ILE . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.09 3.31 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.37 -23.84 54.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.686 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.563 HG12 ' HD2' ' A' ' 125' ' ' PRO . 18.0 mm -101.79 99.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.221 -176.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 1.1 tpmt? -95.86 104.24 16.16 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.658 ' HB2' ' HG3' ' A' ' 114' ' ' MET . 2.1 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.508 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m -103.33 91.41 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.17 12.38 37.19 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -81.42 159.34 24.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -177.05 -38.01 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -174.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.92 26.11 0.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.74 -60.89 1.44 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 -176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.14 -58.58 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.308 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 59.7 p 51.31 97.09 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 124.134 0.896 . . . . 0.0 111.793 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.552 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 12.3 Cg_endo -55.11 133.89 60.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.277 2.651 . . . . 0.0 112.901 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -135.3 2.32 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.175 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.2 141.36 7.64 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.54 93.13 4.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.171 0.51 . . . . 0.0 111.819 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.33 97.07 10.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.43 137.76 24.41 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 111.6 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.61 -164.2 0.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.861 2.374 . . . . 0.0 111.341 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.11 17.89 10.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.25 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -75.86 -36.46 59.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.547 0.689 . . . . 0.0 109.609 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -97.45 155.59 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.07 78.75 0.21 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.395 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.77 128.02 10.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 86.71 4.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.799 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.47 41.22 1.21 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.101 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -84.31 59.72 5.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.449 0.642 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -109.19 137.96 20.32 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.607 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 16.4 Cg_exo -67.66 94.25 0.38 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.424 2.083 . . . . 0.0 111.656 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -97.01 0.24 48.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.186 0.517 . . . . 0.0 110.594 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.14 140.75 24.63 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.18 165.55 29.35 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.828 2.352 . . . . 0.0 112.861 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -85.07 141.34 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.72 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.56 108.41 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.702 2.268 . . . . 0.0 111.27 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -91.57 127.94 37.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.68 -175.78 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.481 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.14 85.82 4.57 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.35 -14.16 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.513 2.142 . . . . 0.0 112.105 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -148.24 146.97 28.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.526 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 128' ' ' ILE . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' SER . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 79' ' ' ILE . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.583 ' HB1' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.583 ' HD1' ' HB1' ' A' ' 90' ' ' ALA . 51.3 t80 57.41 81.83 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -107.57 18.07 21.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.323 0.582 . . . . 0.0 110.671 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.24 93.68 0.82 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -105.25 -89.61 0.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.485 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -93.51 15.76 15.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.063 0.458 . . . . 0.0 111.206 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' A' ' 104' ' ' SER . 1.9 p-10 -92.77 6.75 46.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.552 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 105' ' ' MET . 42.0 m-20 64.55 -174.25 0.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.054 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m -67.71 -21.66 65.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.942 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.71 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.585 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.514 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.49 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.6 tp60 -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.644 ' HG2' HG21 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.74 HD21 ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 127' ' ' GLU . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.59 26.04 0.17 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.676 ' HB2' HD12 ' A' ' 128' ' ' ILE . 7.6 mm-40 -95.62 -35.52 11.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.225 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 127' ' ' GLU . 3.8 mp -133.78 100.89 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -172.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.74 ' HE3' HD21 ' A' ' 124' ' ' LEU . 28.9 ttmt -167.41 128.48 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.421 169.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.403 ' C ' ' HZ1' ' A' ' 111' ' ' LYS . 57.8 t-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.314 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m -102.97 101.93 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.577 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.58 9.75 9.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -131.89 156.46 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.031 0.416 . . . . 0.0 111.532 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -153.38 24.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.828 173.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.35 -30.18 0.29 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.22 113.58 27.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.143 -0.348 . . . . 0.0 111.579 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.82 1.62 3.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.098 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.52 141.68 39.36 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.672 0.272 . . . . 0.0 110.369 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 27.7 Cg_endo -62.33 123.62 12.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.765 2.31 . . . . 0.0 112.697 -176.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.26 -68.88 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.779 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.09 -178.34 15.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.219 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.27 165.49 34.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.44 161.34 14.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.983 0.42 . . . . 0.0 110.541 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . . . -119.27 121.76 29.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.335 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -60.89 114.98 2.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.575 2.183 . . . . 0.0 111.631 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.87 94.33 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.859 0.361 . . . . 0.0 111.642 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -81.42 146.78 30.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.0 m -64.07 111.94 2.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.948 0.404 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.82 -68.16 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.266 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.1 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.481 0.181 . . . . 0.0 111.122 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.72 -63.6 0.35 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.771 0.828 . . . . 0.0 112.184 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.59 54.26 4.9 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.811 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.0 m -155.13 106.37 2.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.0 140.38 21.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.353 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.84 105.12 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.247 1.964 . . . . 0.0 111.317 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.8 p -73.38 95.4 2.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.455 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.94 102.89 21.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.538 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.04 150.07 85.55 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.658 2.239 . . . . 0.0 111.405 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.76 116.9 66.86 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.725 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.1 96.97 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.598 2.199 . . . . 0.0 110.31 169.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m -78.33 87.86 4.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.753 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.18 143.87 9.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.264 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.74 76.55 1.47 Allowed Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.244 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.57 -10.63 6.26 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.466 2.111 . . . . 0.0 112.383 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -130.69 146.93 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.95 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.95 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.685 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 64.25 95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -139.84 141.92 36.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.911 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.31 148.71 4.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.938 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -162.2 -75.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.737 0.303 . . . . 0.0 111.649 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -98.98 11.44 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 0.0 111.116 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.958 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -92.16 -5.71 52.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.981 -174.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 105' ' ' MET . 9.0 t70 53.71 -154.75 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.563 0.539 . . . . 0.0 110.219 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 8.7 m -81.33 -20.92 39.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.525 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -67.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.778 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.564 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 93' ' ' LEU . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.533 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo -66.12 32.81 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 125' ' ' PRO . 27.1 mt-10 -100.61 -24.46 14.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 124' ' ' LEU . 4.3 mp -102.54 116.02 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.534 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 2.1 tpmt? -155.85 -41.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.256 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -170.93 85.78 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.362 0.665 . . . . 0.0 109.218 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HB ' HD13 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.48 12.99 12.19 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.09 157.19 24.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.761 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -135.14 75.36 1.56 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.888 0.375 . . . . 0.0 111.109 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.53 41.15 0.59 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.452 170.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.67 91.48 6.44 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.992 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 55' ' ' LYS . . . 63.96 35.0 11.06 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 150.29 77.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.372 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' HG3' ' A' ' 51' ' ' PRO . 41.3 Cg_endo -66.78 140.05 54.44 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.74 2.293 . . . . 0.0 112.29 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.09 5.3 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.611 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.14 148.39 19.33 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.292 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.62 176.43 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.0 110.676 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -118.46 116.71 27.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.72 108.58 56.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.282 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.32 177.13 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.939 2.426 . . . . 0.0 112.211 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.31 88.14 4.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 m -99.74 116.31 31.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.397 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -100.3 151.23 21.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.564 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.62 -41.74 0.65 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.7 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 71.69 -62.21 0.47 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.411 0.685 . . . . 0.0 111.635 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 128.81 37.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.677 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.2 119.13 1.38 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 p -83.24 109.38 17.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.194 0.521 . . . . 0.0 111.608 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . . . -116.89 110.23 42.13 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.922 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 35' ' ' ALA . 29.7 Cg_endo -62.06 141.54 89.23 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.867 2.378 . . . . 0.0 112.604 -176.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.441 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 13.7 m -103.36 93.39 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.731 177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.17 102.21 23.31 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.334 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 37' ' ' THR . 74.1 Cg_endo -85.79 103.65 0.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.504 2.136 . . . . 0.0 112.044 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.26 127.48 76.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.579 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.36 114.76 1.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.09 2.527 . . . . 0.0 112.793 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -107.79 150.4 27.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.72 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.38 166.55 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 0.0 111.075 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.66 84.82 8.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.866 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.04 2.39 6.99 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.867 2.378 . . . . 0.0 112.209 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m -145.88 149.93 35.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.631 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HG3' ' HD3' ' A' ' 20' ' ' PRO . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' C ' ' HE3' ' A' ' 55' ' ' LYS . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.659 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.546 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' HG21 ' A' ' 3' ' ' ILE . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.509 ' H ' HG22 ' A' ' 79' ' ' ILE . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 60.58 25.71 15.4 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -62.62 121.03 12.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.98 -176.54 22.48 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.995 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -172.28 -71.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.185 0.517 . . . . 0.0 110.656 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 2.13 45.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.19 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.991 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.689 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 102' ' ' SER . 13.2 t70 54.89 -159.72 0.18 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.561 0.538 . . . . 0.0 110.418 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 71.1 m -78.1 -21.56 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.61 0.243 . . . . 0.0 110.888 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.3 -61.07 2.65 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.132 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.54 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.48 ' HB3' ' OXT' ' A' ' 130' ' ' HIS . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 108' ' ' TRP . 13.3 mm100 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.2 Cg_exo -64.53 7.91 0.22 Allowed 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 125' ' ' PRO . 8.7 mm-40 -78.54 -26.04 45.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.022 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 128' ' ' ILE . 3.9 mp -94.91 78.94 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 121.924 0.868 . . . . 0.0 109.738 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 25.0 mtpp -133.74 83.54 2.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.129 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.48 ' OXT' ' HB3' ' A' ' 111' ' ' LYS . 91.8 m-70 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.073 -175.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' SER . 13.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.6 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m 85.94 84.17 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.39 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.74 7.36 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -111.89 178.75 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -139.25 -5.99 1.41 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.96 -43.17 0.51 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.593 0.757 . . . . 0.0 112.669 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.59 28.74 13.26 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.124 0.569 . . . . 0.0 110.647 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.704 ' HB1' ' HA ' ' A' ' 23' ' ' ALA . . . -167.89 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.121 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 20.2 m 70.91 159.15 0.16 Allowed Pre-proline 0 N--CA 1.465 0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.334 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 18.0 Cg_endo -59.25 100.46 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 111.99 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.69 -84.5 0.19 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.952 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.36 50.47 4.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.491 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.704 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . . . -83.4 136.84 34.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -73.05 104.45 4.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.389 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.97 141.45 22.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.96 98.5 0.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.327 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.96 123.04 7.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.991 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t -135.62 141.09 45.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.421 . . . . 0.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 p -108.2 14.87 24.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.493 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.96 -80.51 1.1 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.615 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.08 102.67 13.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.75 133.28 31.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 51.71 4.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.079 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.3 m -81.0 103.51 10.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.038 0.447 . . . . 0.0 110.878 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -149.36 136.29 10.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.409 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 8.0 Cg_exo -71.51 91.78 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.752 2.302 . . . . 0.0 111.617 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.4 t -106.62 -3.94 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.32 93.72 40.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.74 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.72 112.52 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.624 2.216 . . . . 0.0 112.406 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -90.06 147.3 36.83 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.301 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.04 140.01 76.41 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.588 2.192 . . . . 0.0 112.493 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -64.29 120.51 12.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.45 -178.06 6.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.617 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.14 87.2 14.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.18 -59.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.337 2.025 . . . . 0.0 113.35 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -155.22 150.52 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 20' ' ' PRO . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.584 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.584 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 66.35 18.41 10.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.0 m -79.4 72.61 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.36 119.48 0.7 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.31 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -158.92 -55.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.548 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -71.05 -10.91 60.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.252 0.549 . . . . 0.0 111.197 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.4 p-10 -93.33 6.3 48.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.44 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 62.94 -174.83 0.15 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 23.6 m -76.29 -17.01 59.66 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.53 -66.73 0.37 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.269 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.437 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' HG ' HD12 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.538 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 93' ' ' LEU . 49.0 tp60 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.546 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 127' ' ' GLU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.31 16.75 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 125' ' ' PRO . 46.0 mt-10 -85.42 -16.89 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.448 ' HB ' HD23 ' A' ' 124' ' ' LEU . 45.2 mm -90.11 114.88 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.76 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -78.15 118.2 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.538 ' OXT' ' HD2' ' A' ' 111' ' ' LYS . 52.3 t-80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.934 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 5.3 mmt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.963 0.411 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.542 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m -97.37 91.91 5.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.236 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.938 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HB3' HG13 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.938 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.01 16.76 13.1 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -135.65 150.31 49.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -151.97 13.24 0.6 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.244 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.88 -33.3 0.65 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.17 82.74 3.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 0.0 111.422 -174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.23 31.08 19.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -60.83 150.46 76.8 Favored Pre-proline 0 C--O 1.236 0.373 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.034 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.49 101.8 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.692 2.261 . . . . 0.0 112.791 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.96 133.48 3.04 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.872 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.14 85.49 1.57 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.108 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.19 114.96 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.796 0.332 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.26 124.0 36.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.938 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.17 116.93 67.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.64 120.24 6.95 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.42 2.08 . . . . 0.0 111.919 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.31 83.59 7.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -66.24 108.71 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.616 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.8 m -131.89 137.79 48.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.959 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.47 -155.21 21.8 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.978 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.9 118.42 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 64.02 98.29 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.986 0.804 . . . . 0.0 110.985 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.67 151.88 19.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.472 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -102.54 97.28 7.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.014 0.435 . . . . 0.0 110.794 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 117.55 52.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.01 161.02 20.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.569 2.179 . . . . 0.0 112.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -120.47 105.99 11.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 0.0 109.621 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -90.81 152.5 44.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.212 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 6.2 Cg_exo -79.9 116.03 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.057 2.505 . . . . 0.0 111.833 175.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.8 109.75 43.31 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 4.0 Cg_exo -80.75 100.93 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.932 2.421 . . . . 0.0 111.179 174.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 96.59 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.75 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.39 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.49 91.76 1.14 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.828 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.98 -18.47 16.66 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.519 2.146 . . . . 0.0 112.404 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -144.24 148.53 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.392 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB2' HG13 ' A' ' 57' ' ' VAL . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.519 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.79 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 81' ' ' SER . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.582 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 66.7 13.04 9.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -90.58 94.4 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.248 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.92 133.58 4.34 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -156.96 -68.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.732 0.301 . . . . 0.0 111.211 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.1 ptm -67.99 -8.17 35.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.921 -175.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.807 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -87.51 -8.61 56.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.534 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 62.95 177.59 0.15 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.315 0.385 . . . . 0.0 110.202 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -65.88 -24.22 66.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.919 -0.488 . . . . 0.0 109.875 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 -67.83 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.679 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.807 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.628 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.495 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.19 26.67 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -99.46 -19.48 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.567 . . . . 0.0 110.015 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 4.5 mp -100.44 152.64 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.587 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 128' ' ' ILE . 32.1 ttpt 74.98 109.06 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.008 0.817 . . . . 0.0 110.64 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.361 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 1.5 tmt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 m 179.18 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.334 0.654 . . . . 0.0 109.946 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.686 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' HG13 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.686 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.725 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 117' ' ' LEU . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.01 41.2 1.51 Allowed Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.79 119.47 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.292 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.59 11.75 4.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.193 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.33 2.72 24.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.561 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 44.72 5.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.55 16.89 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.179 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -55.86 136.35 72.63 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.239 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.31 116.64 3.2 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.048 2.499 . . . . 0.0 112.411 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.47 -29.72 6.03 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.711 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.46 52.03 4.66 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.329 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.91 84.12 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -101.03 168.38 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.981 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.72 54.16 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.99 127.29 24.49 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.907 2.404 . . . . 0.0 112.118 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 150.89 21.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.0 m -69.51 122.3 18.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -56.74 114.62 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.47 -119.26 0.54 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.178 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.71 10.07 29.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 0.0 111.121 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.3 18.02 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.52 55.89 1.69 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.205 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -90.08 88.07 7.13 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . 73.6 133.87 0.04 OUTLIER Pre-proline 0 C--N 1.341 0.236 0 O-C-N 124.171 0.92 . . . . 0.0 111.532 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.8 Cg_exo -68.72 98.04 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.721 2.28 . . . . 0.0 111.76 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -70.6 105.92 3.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.12 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -134.46 131.65 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 6.2 Cg_exo -74.55 112.28 3.51 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 123.265 2.644 . . . . 0.0 111.776 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.1 mm-40 -79.66 -51.42 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' GLN . 20.9 Cg_endo -60.31 98.77 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.225 1.95 . . . . 0.0 113.197 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -93.33 90.93 6.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.147 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.66 161.66 39.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.845 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.01 91.43 2.44 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.59 -8.15 16.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.705 2.27 . . . . 0.0 112.628 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p -143.61 116.04 8.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.387 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HD3' ' HG3' ' A' ' 127' ' ' GLU . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.644 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 81' ' ' SER . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.817 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.482 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -69.95 94.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -124.16 103.54 8.32 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.24 -163.86 30.42 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.751 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -175.83 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.6 ptp -73.66 -8.41 55.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.895 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.708 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -80.16 -19.3 47.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.056 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t70 58.73 -161.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.361 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -81.42 -20.26 40.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -62.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.354 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.708 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.777 ' HG2' HG21 ' A' ' 128' ' ' ILE . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 11' ' ' ILE . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 127' ' ' GLU . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.7 9.5 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HG3' ' HD3' ' A' ' 67' ' ' ARG . 39.2 mm-40 -73.23 -29.38 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.427 0.632 . . . . 0.0 110.289 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.777 HG21 ' HG2' ' A' ' 114' ' ' MET . 2.3 mt -122.97 165.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.912 -172.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 63.52 61.76 1.0 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.307 0.575 . . . . 0.0 110.296 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.864 -176.299 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 2' ' ' SER . 24.4 ttt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.616 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m 88.65 88.09 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.163 0.985 . . . . 0.0 110.244 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.67 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.54 56.11 0.59 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 15' ' ' SER . 8.8 p-10 -82.33 -101.65 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.311 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.535 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 12.7 t 70.0 -56.79 0.57 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.95 0.9 . . . . 0.0 111.898 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.06 64.39 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.88 0.371 . . . . 0.0 111.284 -175.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.64 14.72 8.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.264 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.31 -12.75 56.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.176 0.512 . . . . 0.0 110.509 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 p -76.17 144.68 75.57 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.493 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.94 118.41 5.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.917 2.411 . . . . 0.0 112.601 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.28 -94.01 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.97 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.56 -77.06 0.28 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.593 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.64 93.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.136 0.574 . . . . 0.0 111.965 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.04 131.08 51.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -99.04 130.68 26.87 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.21 -174.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 3.7 Cg_exo -75.23 104.76 1.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 110.853 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.25 127.15 42.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.747 0.308 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -124.77 148.84 47.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -78.68 -2.51 39.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 111.157 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.33 11.22 59.96 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.848 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.7 171.95 18.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.803 0.302 . . . . 0.0 111.232 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 129.95 46.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.509 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.72 121.38 6.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.521 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -94.93 73.65 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.848 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.2 120.78 54.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.466 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -81.42 99.42 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.535 2.157 . . . . 0.0 111.576 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.6 m -85.78 81.31 8.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 110.991 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.08 92.76 2.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.659 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.88 67.83 7.37 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.263 2.642 . . . . 0.0 112.32 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.729 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 50.1 mt-30 -82.87 -56.47 0.48 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD3' ' HB2' ' A' ' 40' ' ' GLN . 2.8 Cg_exo -75.89 97.42 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.029 1.819 . . . . 0.0 112.316 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -166.87 157.02 11.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.576 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.9 -170.94 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.792 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.58 78.04 38.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.48 -13.61 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.514 2.143 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 44.1 m -154.72 129.97 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.811 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.717 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' H ' ' A' ' 64' ' ' LEU . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.573 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.485 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.404 HH11 HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.57 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 72.73 105.5 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m -152.74 113.93 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.152 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -140.86 116.33 1.12 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.178 -1.01 . . . . 0.0 113.293 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -163.29 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.986 0.422 . . . . 0.0 110.58 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -73.36 -14.09 61.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.552 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.657 HD22 ' HB2' ' A' ' 105' ' ' MET . 2.4 p-10 -78.46 -17.06 56.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.99 -176.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t0 57.21 -163.44 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 m -80.38 -19.48 46.22 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.236 0.541 . . . . 0.0 109.983 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.542 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.657 ' HB2' HD22 ' A' ' 100' ' ' ASN . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.522 HD21 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.616 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.51 HG11 HD12 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 46' ' ' SER . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.51 HD12 HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 128' ' ' ILE . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo -65.17 9.44 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 125' ' ' PRO . 41.8 mt-10 -89.4 -25.44 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.371 . . . . 0.0 110.357 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.551 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.5 mp -96.03 82.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 109.947 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -179.5 101.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.319 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.3 m170 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.079 179.465 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.077 0.465 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -88.87 82.01 6.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 -167.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.988 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.988 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.0 -13.86 53.5 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.52 153.06 33.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.167 0.508 . . . . 0.0 110.725 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -155.35 -37.32 0.09 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.768 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.49 22.65 0.81 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.99 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.42 -51.12 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.993 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.16 -65.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.828 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m 61.19 97.69 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 123.882 0.739 . . . . 0.0 112.074 177.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.5 103.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.615 2.876 . . . . 0.0 113.123 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.59 -41.25 1.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.676 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.23 135.71 4.51 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.261 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.15 128.73 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.321 . . . . 0.0 110.57 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.91 163.45 12.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.644 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.41 149.8 48.37 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.115 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.51 100.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.354 2.036 . . . . 0.0 112.511 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.45 -178.16 3.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.452 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t 42.15 45.57 3.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.186 0.929 . . . . 0.0 111.728 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -101.14 -4.31 27.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.917 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.25 157.41 20.96 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.269 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.69 14.41 9.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.117 0.567 . . . . 0.0 111.484 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.9 130.2 46.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.68 -37.08 61.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.819 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.2 m -131.41 92.64 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -91.52 131.26 36.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.4 Cg_exo -68.77 91.74 0.43 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.853 2.368 . . . . 0.0 112.407 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -97.21 95.92 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.427 0.632 . . . . 0.0 109.884 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -80.88 118.08 70.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.042 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 16.3 Cg_exo -67.93 129.55 19.87 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.717 2.278 . . . . 0.0 111.506 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -116.83 97.59 50.72 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.284 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.04 126.25 7.75 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.01 2.473 . . . . 0.0 111.505 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -149.45 112.47 4.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.35 160.85 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.682 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.2 84.19 13.04 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 121.106 0.479 . . . . 0.0 110.035 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -82.38 3.78 7.56 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.439 2.093 . . . . 0.0 111.948 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -152.62 141.69 21.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' H ' ' A' ' 64' ' ' LEU . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' H ' HG11 ' A' ' 57' ' ' VAL . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.659 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HB2' HG13 ' A' ' 128' ' ' ILE . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.659 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 53' ' ' LEU . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 81' ' ' SER . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.566 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HD2' HD22 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 64.24 24.64 13.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 p -87.98 129.4 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.442 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.402 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . 154.9 111.91 0.42 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.466 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.22 -64.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 0.0 110.743 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.6 ptp -77.2 -7.76 56.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.307 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.693 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -90.53 1.75 56.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.75 -179.19 0.16 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.546 0.529 . . . . 0.0 110.647 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -71.67 -20.03 62.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.27 -64.83 0.7 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.313 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.693 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' HA ' HD13 ' A' ' 70' ' ' ILE . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.671 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 114' ' ' MET . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 128' ' ' ILE . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 27.4 Cg_exo -62.91 2.5 0.76 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.1 -31.76 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.721 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.6 mp -90.36 76.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.746 0.784 . . . . 0.0 110.742 -175.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 129' ' ' LYS . 8.3 mmmm -158.46 91.14 1.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.664 173.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.254 -177.953 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 5.9 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.5 m -120.13 92.92 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.631 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.29 6.25 32.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.0 148.74 32.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m -151.96 24.34 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.17 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.74 -51.48 0.46 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.896 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 -25.42 27.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.78 24.67 10.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.092 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 13.7 p -64.3 135.26 96.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.039 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.471 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 21.3 Cg_exo -64.14 112.93 2.02 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.909 2.406 . . . . 0.0 111.737 172.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.1 175.31 44.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.024 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.44 165.24 18.69 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.897 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.96 154.36 51.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -107.54 166.7 10.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.857 0.361 . . . . 0.0 110.154 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 138.95 82.12 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.278 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.52 137.61 78.82 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.633 2.222 . . . . 0.0 111.639 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 93.98 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.109 0.481 . . . . 0.0 111.314 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 t -90.3 128.03 36.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.704 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 71.85 -66.25 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.532 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.94 85.66 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.72 91.31 2.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.44 19.34 9.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.393 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.38 8.68 57.81 Favored Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.792 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -66.52 -31.97 73.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 110.535 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -97.77 117.74 64.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.45 113.37 2.89 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.594 2.196 . . . . 0.0 111.627 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -82.01 96.66 7.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.216 0.532 . . . . 0.0 110.286 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.9 107.24 22.32 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.141 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 15.7 Cg_exo -68.34 127.69 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.919 2.412 . . . . 0.0 111.546 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.7 106.13 44.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 3.5 Cg_exo -80.43 106.98 1.94 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.704 2.269 . . . . 0.0 110.698 173.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -77.4 -50.04 13.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.71 -178.49 6.89 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.177 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.2 86.92 6.8 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.15 -4.81 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.681 2.254 . . . . 0.0 112.991 -173.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -150.91 144.96 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.471 HG21 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' HD21 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.766 ' HB2' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 81' ' ' SER . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.624 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.539 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 58.96 93.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 t -150.11 126.31 10.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.571 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.29 158.94 7.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.181 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -142.17 -52.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.02 3.57 37.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.705 0.288 . . . . 0.0 111.739 -173.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -75.61 -20.62 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.713 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.1 t70 62.19 -179.96 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.719 0.637 . . . . 0.0 111.142 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -68.91 -19.73 64.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 110.274 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.75 -60.04 4.46 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.592 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.798 ' HE3' HD12 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.798 HD12 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.465 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.516 ' HD2' HD13 ' A' ' 128' ' ' ILE . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo -69.72 37.18 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' CD ' HH22 ' A' ' 67' ' ' ARG . 43.8 mt-10 -123.66 -33.25 3.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.046 0.451 . . . . 0.0 110.412 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 67' ' ' ARG . 3.6 mp -89.38 79.86 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 110.86 -172.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 4.0 tmmm? 177.18 105.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.244 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.716 177.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -89.19 84.76 6.53 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 -175.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.625 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.507 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 25.64 7.57 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -138.09 131.35 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.0 110.103 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 t -153.72 27.51 0.49 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.95 -31.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.484 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.01 -41.4 5.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 128.81 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 m -143.63 98.95 5.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.436 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.48 125.82 11.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.267 2.645 . . . . 0.0 112.906 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 -56.85 3.41 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.045 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.49 2.03 87.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.552 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.53 75.72 6.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.144 0.497 . . . . 0.0 111.133 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -139.59 119.42 13.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.179 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.89 139.62 24.67 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.37 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.86 121.32 8.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.704 2.269 . . . . 0.0 111.273 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.45 106.43 17.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.3 m 68.65 118.71 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.675 0.609 . . . . 0.0 112.113 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m 75.35 112.8 0.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.671 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.17 164.78 38.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.32 78.94 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.859 0.33 . . . . 0.0 110.907 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 58.71 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.724 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.66 22.83 0.72 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 m -102.44 109.16 20.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.147 0.498 . . . . 0.0 111.089 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -106.25 144.99 30.07 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.004 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 27.8 Cg_exo -61.14 106.5 0.39 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 111.939 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -79.93 91.01 5.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.234 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' H ' ' HD2' ' A' ' 39' ' ' PRO . . . -103.93 -55.41 0.1 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.251 177.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.55 ' HD2' ' H ' ' A' ' 38' ' ' ALA . 58.7 Cg_endo -73.37 111.87 3.39 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.575 1.517 . . . . 0.0 111.956 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 27.4 tp60 -112.29 100.73 50.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 40' ' ' GLN . 55.6 Cg_endo -71.86 132.96 20.88 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.257 1.972 . . . . 0.0 111.105 174.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -90.99 101.35 14.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.16 -169.1 0.2 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.427 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.61 82.14 33.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.29 -7.0 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.554 2.169 . . . . 0.0 112.732 -174.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -147.47 141.73 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 ' HA ' ' A' ' 11' ' ' ILE . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 11' ' ' ILE . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD21 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.527 ' HG3' HG23 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 HD21 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.553 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.621 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 109' ' ' LEU . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 71.11 105.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -136.58 115.53 12.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.391 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -131.41 53.39 0.81 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.29 -149.21 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 20.0 ptp -72.49 0.94 8.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.724 0.297 . . . . 0.0 111.212 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 3.1 p-10 -67.03 -25.78 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.539 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 64.1 173.3 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.019 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 15.3 m -63.08 -20.99 65.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.468 . . . . 0.0 110.208 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.96 -53.04 61.64 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.561 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.482 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 124' ' ' LEU . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.01 -0.89 1.38 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 128' ' ' ILE . 25.7 mm-40 -63.93 -37.29 86.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.381 0.61 . . . . 0.0 109.98 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' A' ' 124' ' ' LEU . 4.2 mp -97.73 93.75 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -84.66 85.57 7.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.568 0.699 . . . . 0.0 109.715 -179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.254 177.413 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' HE3' ' A' ' 6' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.949 0.404 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m -90.22 100.51 13.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.088 -173.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.663 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.46 19.01 24.71 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -97.95 142.89 29.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.186 0.517 . . . . 0.0 111.267 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 m -152.77 10.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.969 171.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.15 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.77 106.18 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.914 -0.491 . . . . 0.0 111.407 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.39 23.53 9.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -67.3 148.74 98.69 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 19.0 Cg_endo -58.85 137.7 81.45 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.145 2.563 . . . . 0.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.45 -116.49 5.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.806 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.07 54.17 18.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.688 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 109.97 17.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.859 0.361 . . . . 0.0 110.406 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -124.8 101.62 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.79 137.08 85.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.88 0.372 . . . . 0.0 111.445 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -65.18 111.88 1.91 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.76 2.307 . . . . 0.0 111.418 175.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.48 119.8 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.434 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -86.5 164.91 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.544 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -69.1 87.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 111.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.73 86.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.648 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 87.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -176.89 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.563 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.87 39.19 1.45 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.859 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 m -86.27 121.69 29.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.968 0.413 . . . . 0.0 111.124 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.31 136.25 19.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.942 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.93 94.48 0.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.69 2.26 . . . . 0.0 112.022 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 4.8 t -84.83 56.55 3.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.27 101.12 33.12 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.646 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 37' ' ' THR . 4.5 Cg_exo -74.07 93.57 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.659 2.239 . . . . 0.0 112.065 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 98.3 mt-30 -91.76 127.87 48.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 26.7 Cg_exo -62.53 102.39 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.895 2.397 . . . . 0.0 112.769 -176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.3 p -80.52 85.17 5.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 110.594 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.18 162.99 30.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.237 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.71 84.61 5.93 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.319 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.23 -3.53 12.16 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.706 2.271 . . . . 0.0 111.476 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -153.15 146.58 24.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.961 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' HB3' ' HG3' ' A' ' 20' ' ' PRO . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 64' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.509 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' H ' ' A' ' 79' ' ' ILE . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.76 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 71.51 109.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 m -137.79 135.68 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.444 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . 164.02 124.4 0.71 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.365 -0.921 . . . . 0.0 112.786 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -147.82 -63.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.083 0.468 . . . . 0.0 110.105 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -90.05 -17.72 27.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.073 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.822 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -83.24 -4.91 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.807 -176.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 59.61 -167.09 0.17 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.376 0.422 . . . . 0.0 110.171 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.6 m -83.06 -17.56 42.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 109.886 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.52 1.79 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.216 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.822 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.536 HG22 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.701 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.875 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.538 ' HB3' HD13 ' A' ' 93' ' ' LEU . 44.5 tp60 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.875 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' A' ' 128' ' ' ILE . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.47 27.08 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 125' ' ' PRO . 35.3 mt-10 -105.1 -16.54 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.297 0.57 . . . . 0.0 109.864 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' A' ' 125' ' ' PRO . 2.7 mp -92.83 87.9 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.726 -174.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 128' ' ' ILE . 24.4 mtpt 173.22 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.058 1.343 . . . . 0.0 108.525 173.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.244 0.775 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.029 -171.33 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m -170.78 82.51 0.09 Allowed 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.843 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.843 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.86 -15.27 31.75 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.82 174.4 7.27 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.094 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -156.47 11.65 0.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.61 -33.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.22 150.09 21.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.566 0.222 . . . . 0.0 111.19 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 52' ' ' ILE . . . 65.1 18.53 11.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.024 174.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -74.87 123.68 89.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.601 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 72.4 Cg_endo -76.54 154.33 35.33 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.788 2.325 . . . . 0.0 112.463 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.42 -161.41 31.26 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.0 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.43 113.38 2.59 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.774 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.67 109.18 21.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.3 149.85 22.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -62.13 131.98 93.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.293 -178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 52.0 Cg_exo -55.9 126.49 22.6 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.875 2.383 . . . . 0.0 112.151 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.9 167.46 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -145.36 156.78 43.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.8 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -112.68 -20.88 11.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.05 173.89 42.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.097 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.29 -167.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.042 0.537 . . . . 0.0 111.668 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.47 108.2 20.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.029 0.442 . . . . 0.0 110.37 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.7 78.42 0.25 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.781 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -67.34 104.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.323 0.583 . . . . 0.0 110.698 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.52 151.17 40.88 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.061 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.97 133.32 54.98 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.629 2.219 . . . . 0.0 111.566 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 p -79.46 111.47 15.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.163 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.2 98.12 51.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.33 108.81 2.79 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.913 2.409 . . . . 0.0 111.273 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.73 118.18 69.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.432 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.32 132.47 33.86 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.728 2.285 . . . . 0.0 112.112 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -80.34 95.45 6.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.559 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.32 167.6 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.756 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.44 84.93 8.94 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.47 -27.39 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.689 2.259 . . . . 0.0 113.028 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m -153.67 139.91 18.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.552 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' HD21 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.532 HD12 HD21 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.423 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.578 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.796 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 71.87 108.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -135.79 89.86 2.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -159.08 117.85 0.8 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -147.65 -69.27 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.995 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -99.66 4.11 45.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.084 0.468 . . . . 0.0 111.053 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 1.073 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.2 p-10 -94.14 -4.75 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 54.33 -150.1 0.41 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.3 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -89.06 -19.95 24.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.971 0.415 . . . . 0.0 110.07 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.54 2.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.499 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 1.073 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.587 HD21 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 104' ' ' SER . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 129' ' ' LYS . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.495 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.535 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.27 31.39 0.17 Allowed 'Trans proline' 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 125' ' ' PRO . 30.4 mt-10 -119.36 -11.56 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.502 ' HB ' HD23 ' A' ' 124' ' ' LEU . 20.9 mm -92.88 138.6 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.725 -172.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 129' ' ' LYS . 4.2 ttpm? 73.2 -42.94 0.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.915 0.76 . . . . 0.0 110.838 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.426 ' H ' ' C ' ' A' ' 128' ' ' ILE . 60.0 t-80 . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.859 0.725 . . . . 0.0 109.53 -175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 2' ' ' SER . 16.6 ttt . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m 92.8 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.549 1.14 . . . . 0.0 111.601 171.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.65 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.09 -3.66 90.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' OD2' ' HB3' ' A' ' 17' ' ' ALA . 13.0 t70 -98.64 119.79 37.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.314 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -126.57 -9.27 6.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.145 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.9 41.64 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -127.88 -68.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.106 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.66 9.46 39.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.341 . . . . 0.0 110.656 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -52.31 126.2 36.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.406 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG3' ' HG2' ' A' ' 51' ' ' PRO . 22.3 Cg_endo -61.76 104.09 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.658 2.239 . . . . 0.0 112.303 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.96 72.91 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.045 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 107.27 2.99 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.072 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.83 93.44 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.996 0.427 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.33 90.07 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.89 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.11 127.17 26.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.61 48.57 2.64 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.918 2.412 . . . . 0.0 112.386 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.31 20.53 18.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.758 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -83.82 106.08 15.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.727 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -75.7 -33.72 60.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.818 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.27 -108.65 0.27 Allowed Glycine 0 C--O 1.227 -0.327 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.51 -5.56 48.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.781 0.801 . . . . 0.0 108.974 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.59 164.99 20.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.174 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.16 87.21 0.1 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 m -83.83 94.4 8.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.232 0.539 . . . . 0.0 110.251 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.46 120.55 73.22 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.132 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.99 107.39 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -77.32 92.32 3.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.686 0.755 . . . . 0.0 110.844 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.814 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -93.24 -56.47 0.23 Allowed Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.52 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 32.1 Cg_endo -94.34 102.63 0.13 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.424 2.083 . . . . 0.0 111.51 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -129.68 90.98 41.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.777 0.322 . . . . 0.0 110.838 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.11 100.61 1.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.813 2.342 . . . . 0.0 111.487 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 m -100.67 80.86 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.391 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.68 161.05 23.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.379 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 87.39 7.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.41 -1.17 10.91 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 -177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -153.27 134.7 14.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.821 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.716 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.682 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 74' ' ' MET . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.715 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 71' ' ' VAL . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.556 ' H ' HG22 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.797 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 3' ' ' ILE . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.797 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 61.43 34.74 18.04 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.1 m -75.88 76.4 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.16 0.505 . . . . 0.0 110.66 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.434 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -137.38 119.06 1.81 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -151.86 -85.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.617 0.246 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -90.06 7.76 36.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.09 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.907 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.5 p-10 -83.36 -18.41 38.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.438 174.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 58.75 -172.4 0.1 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.472 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -61.64 -30.27 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.35 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.532 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.907 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.682 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.523 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 127' ' ' GLU . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.7 Cg_exo -64.87 11.35 0.12 Allowed 'Trans proline' 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 125' ' ' PRO . 28.0 mt-10 -91.0 -26.57 19.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 128' ' ' ILE . 4.5 mp -99.69 107.35 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.087 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 129' ' ' LYS . 7.2 mmpt? -138.08 -9.76 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.949 -173.666 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.663 0.268 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -153.88 99.41 2.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HB3' HG13 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.37 20.62 49.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 18' ' ' ALA . 43.5 t0 -71.29 158.15 36.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.621 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.3 t -178.0 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.274 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 13.12 10.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.795 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 74.13 70.28 0.11 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.082 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' H ' ' CG ' ' A' ' 14' ' ' ASP . . . -95.55 -27.02 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.822 169.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 32.4 m -65.09 161.58 46.92 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.412 173.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 18.7 Cg_endo -58.96 100.85 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.692 2.261 . . . . 0.0 112.916 -177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.56 15.35 5.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.964 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.44 179.11 19.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.04 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.86 101.17 4.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -98.83 161.17 13.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 0.0 111.374 -174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 27' ' ' ALA . . . -102.88 159.12 30.29 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.654 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.34 34.91 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.249 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 25' ' ' ALA . . . -179.27 98.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.278 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -85.72 27.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.93 0.395 . . . . 0.0 111.564 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.2 m -104.33 102.25 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.11 -38.14 2.55 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.8 172.82 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 133.28 43.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.7 -159.85 11.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.13 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 150.56 46.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.33 111.0 64.05 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.894 0.378 . . . . 0.0 111.049 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.74 121.98 3.39 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.094 2.529 . . . . 0.0 110.763 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -86.28 103.7 15.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.864 0.84 . . . . 0.0 110.692 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.23 109.97 12.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.04 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.28 108.99 0.56 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.77 2.314 . . . . 0.0 112.541 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 78.3 mt-30 -83.13 121.77 77.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.785 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 22.5 Cg_exo -64.47 137.3 54.59 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.812 2.341 . . . . 0.0 111.969 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -147.22 136.56 22.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.133 0.492 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.22 169.62 16.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.554 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.37 80.98 15.93 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 110.221 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.15 -13.75 11.14 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.286 1.99 . . . . 0.0 111.952 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 128.45 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' HG3' HG13 ' A' ' 128' ' ' ILE . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' HG21 ' A' ' 3' ' ' ILE . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.664 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.843 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.573 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.843 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -69.7 116.37 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.61 21.04 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 0.0 111.084 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.32 161.51 21.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.736 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.37 -64.97 0.39 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.943 0.401 . . . . 0.0 110.999 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.7 -0.7 27.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.096 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.0 p-10 -79.35 -10.6 59.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.368 . . . . 0.0 110.361 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.51 -166.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.957 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 49.3 m -73.63 -16.49 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.848 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.1 -65.78 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.556 ' HA ' HD13 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.582 ' HG3' HD22 ' A' ' 93' ' ' LEU . 51.9 tp60 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.612 HG21 HD21 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 118' ' ' VAL . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.525 HG11 HD12 ' A' ' 124' ' ' LEU . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 124' ' ' LEU . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.529 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.531 ' HD2' HD13 ' A' ' 128' ' ' ILE . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 28.0 Cg_exo -62.77 -1.06 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.19 -19.32 28.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.997 0.427 . . . . 0.0 110.097 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.531 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.4 mp -96.89 135.28 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.966 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 129' ' ' LYS . 12.3 tmtt? 65.95 95.53 0.06 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.716 0.769 . . . . 0.0 110.557 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.23 174.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.647 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.647 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.582 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.666 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 83' ' ' LEU . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.595 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 . . . . . 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.638 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.568 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.489 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.866 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.602 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 117' ' ' LEU . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.684 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.439 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.484 ' H ' ' HA ' ' A' ' 75' ' ' LYS . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 79' ' ' ILE . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.589 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 . . . . . 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 111.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 11' ' ' ILE . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.455 HG12 HG21 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 21.0 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.622 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HG21 ' A' ' 52' ' ' ILE . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.447 -0.586 0 CA-C-O 121.246 0.546 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 11' ' ' ILE . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.697 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.697 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.574 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 81' ' ' SER . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.704 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 . . . . . 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.907 0.384 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.576 ' HA ' HD13 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 118' ' ' VAL . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.6 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 120.997 0.427 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 118' ' ' VAL . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.54 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.888 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.565 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 . . . . . 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.677 0.275 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.557 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 12' ' ' PHE . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 22.0 Cg_exo . . . . . 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 1.038 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 1.038 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 117' ' ' LEU . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.498 HG21 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 64' ' ' LEU . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.524 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.771 0.319 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.606 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.525 HD11 HD12 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 17.3 Cg_exo . . . . . 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.74 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 3' ' ' ILE . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.811 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.811 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.576 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.784 0.326 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.594 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 118' ' ' VAL . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m . . . . . 0 N--CA 1.45 -0.468 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.55 ' O ' ' HB2' ' A' ' 55' ' ' LYS . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' SER . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 79' ' ' ILE . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.583 ' HB1' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.583 ' HD1' ' HB1' ' A' ' 90' ' ' ALA . 51.3 t80 . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.034 0.445 . . . . 0.0 111.585 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.49 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.492 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.402 ' O ' HD23 ' A' ' 124' ' ' LEU . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.577 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.95 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.95 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.685 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.564 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 93' ' ' LEU . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.533 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo . . . . . 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HB ' HD13 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' C ' ' HE3' ' A' ' 55' ' ' LYS . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.659 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.546 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' HG21 ' A' ' 3' ' ' ILE . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.509 ' H ' HG22 ' A' ' 79' ' ' ILE . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 . . . . . 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.54 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.71 ' HG3' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.71 HE21 ' HG3' ' A' ' 111' ' ' LYS . 26.9 mm-40 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.2 Cg_exo . . . . . 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.6 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.728 0.775 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.584 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.584 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.955 0.407 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.457 ' HG ' HD12 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 107' ' ' ILE . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 93' ' ' LEU . 8.1 tp-100 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.546 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.542 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m . . . . . 0 N--CA 1.451 -0.422 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.938 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HB3' HG13 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.938 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.457 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB2' HG13 ' A' ' 57' ' ' VAL . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.519 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.79 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 81' ' ' SER . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.582 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 . . . . . 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.989 0.423 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.628 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.495 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 5.0 m . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.686 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' HG13 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.686 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.725 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 117' ' ' LEU . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.448 -0.527 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.644 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 81' ' ' SER . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.817 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.482 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.868 0.366 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.515 ' O ' HG22 ' A' ' 118' ' ' VAL . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 11' ' ' ILE . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.616 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.441 0.639 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.67 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 44.1 m . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.717 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' H ' ' A' ' 64' ' ' LEU . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.573 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.485 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.404 HH11 HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.57 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 . . . . . 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.95 0.405 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.522 HD21 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.616 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.51 HG11 HD12 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 46' ' ' SER . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.51 HD12 HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo . . . . . 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.988 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.988 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.41 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' H ' ' A' ' 64' ' ' LEU . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' H ' HG11 ' A' ' 57' ' ' VAL . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.659 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.659 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 53' ' ' LEU . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 81' ' ' SER . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.566 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HD2' HD22 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 . . . . . 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.031 0.443 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.553 ' HA ' HD13 ' A' ' 70' ' ' ILE . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.671 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 114' ' ' MET . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 27.4 Cg_exo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.631 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.471 HG21 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' HD21 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 81' ' ' SER . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.624 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.539 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.953 0.406 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.798 ' HE3' HD12 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.798 HD12 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.465 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo . . . . . 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.625 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.507 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 ' HA ' ' A' ' 11' ' ' ILE . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 11' ' ' ILE . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD21 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.527 ' HG3' HG23 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 HD21 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.553 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.621 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 109' ' ' LEU . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 . . . . . 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.915 0.388 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.482 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 124' ' ' LEU . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.582 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.604 ' CD ' ' HA ' ' A' ' 3' ' ' ILE . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 64' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.509 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' H ' ' A' ' 79' ' ' ILE . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.76 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.414 ' HA ' HD12 ' A' ' 107' ' ' ILE . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.536 HG22 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.701 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.875 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.538 ' HB3' HD13 ' A' ' 93' ' ' LEU . 7.6 tp-100 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.875 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m . . . . . 0 C--O 1.226 -0.181 0 N-CA-C 111.162 0.06 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.843 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.843 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.552 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' HD21 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.532 HD12 HD21 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.423 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.578 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.796 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 . . . . . 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 107' ' ' ILE . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.587 HD21 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 104' ' ' SER . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.495 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.535 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.65 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.716 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.682 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 74' ' ' MET . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.715 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 71' ' ' VAL . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.556 ' H ' HG22 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.797 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 3' ' ' ILE . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.797 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.682 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.523 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.7 Cg_exo . . . . . 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HB3' HG13 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' HG21 ' A' ' 3' ' ' ILE . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.664 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.843 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.573 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.843 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.556 ' HA ' HD13 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.582 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.2 tp-100 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.612 HG21 HD21 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 118' ' ' VAL . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.525 HG11 HD12 ' A' ' 124' ' ' LEU . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 124' ' ' LEU . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.529 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 28.0 Cg_exo . . . . . 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.4 mtp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -120.69 95.9 4.9 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.647 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.4 mt -62.66 -29.3 46.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.357 -171.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -63.55 -24.99 68.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 110.367 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.23 -8.29 57.78 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.708 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.647 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 54.3 mtpt -89.8 -38.23 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.993 0.425 . . . . 0.0 110.187 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 pt -75.88 -32.09 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -18.41 63.49 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.19 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -71.68 -11.81 61.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 110.621 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.38 -40.6 6.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.174 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 73.7 mt -62.21 -46.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -93.78 20.05 8.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.95 35.95 3.24 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.658 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.3 107.34 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.117 0.485 . . . . 0.0 110.023 176.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.2 m -133.71 10.41 3.98 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.226 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 8.73 20.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.016 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.1 34.4 13.74 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.659 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.36 -74.92 0.5 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.88 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 50.8 m 57.15 178.25 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.708 0 O-C-N 123.476 0.485 . . . . 0.0 112.179 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 14.9 Cg_exo -69.8 101.7 0.95 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 121.987 1.792 . . . . 0.0 111.707 168.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.57 36.03 54.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.268 175.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -111.6 -18.81 7.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.054 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.13 130.34 42.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 110.95 -178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -110.53 171.68 7.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.849 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -104.2 131.45 21.91 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.384 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 30.3 Cg_exo -62.29 150.03 88.54 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.921 2.414 . . . . 0.0 112.444 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 153.42 51.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.655 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 t -73.74 147.99 43.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.519 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t -119.57 -165.95 1.22 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.285 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.42 -91.03 0.45 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.71 -13.34 45.67 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.59 90.01 2.77 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.237 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.55 0.43 7.41 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -83.59 91.01 7.34 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.172 0.51 . . . . 0.0 111.433 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -173.46 137.38 0.73 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.905 177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 32.4 Cg_exo -62.17 145.03 96.42 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.758 2.305 . . . . 0.0 111.985 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -124.66 77.72 1.62 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.208 0.528 . . . . 0.0 111.351 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -130.44 78.02 74.96 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.47 96.97 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 122.999 2.466 . . . . 0.0 111.965 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 27.0 pt20 -89.27 125.91 60.35 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 173.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 51.6 Cg_exo -56.26 141.68 88.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.924 2.416 . . . . 0.0 112.869 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -97.56 106.43 18.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.159 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.79 160.16 28.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.367 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.69 86.78 4.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.872 0.367 . . . . 0.0 110.094 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.52 -15.09 17.67 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.339 2.026 . . . . 0.0 110.89 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.7 t -114.95 130.65 56.97 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.203 175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.66 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.98 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 1.3 t70 -73.75 104.51 4.68 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.06 -20.45 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.301 -171.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.12 -57.9 21.6 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.035 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 73.8 Cg_endo -76.0 15.2 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.941 1.761 . . . . 0.0 112.48 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.9 mt -106.0 -54.31 6.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.763 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.42 -38.42 49.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.438 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -56.94 -31.56 65.09 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.983 0.42 . . . . 0.0 110.933 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -88.92 -40.86 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.718 -0.673 . . . . 0.0 109.903 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.76 82.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.148 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.99 -48.07 85.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.442 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -82.83 -11.17 58.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.065 0.459 . . . . 0.0 110.723 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.58 -33.03 58.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -61.16 -45.14 95.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.867 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.74 -46.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.947 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 64' ' ' LEU . 11.8 pt-20 -105.43 152.51 22.89 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 64' ' ' LEU . 6.6 tmtt? -80.75 123.66 28.4 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 15.8 mt -123.58 172.65 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.804 -175.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 65' ' ' GLU . 4.2 mm-40 -124.28 87.27 2.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.165 0.507 . . . . 0.0 111.117 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.582 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 70.2 p-90 -71.89 -16.81 62.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.422 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -65.24 -29.48 70.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.9 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.3 p -123.87 -39.61 2.38 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 111.711 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -92.37 127.07 37.72 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.776 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.568 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -78.57 -32.58 16.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 40.8 t -69.77 -27.64 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.975 0.417 . . . . 0.0 110.558 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 59.0 m-20 -70.45 -46.2 64.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.868 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.64 -29.93 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.608 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 50.9 ttp -65.02 -52.5 55.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.164 0.507 . . . . 0.0 110.31 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 13.8 ptpt -64.5 -29.07 70.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -44.88 95.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.851 0.46 . . . . 0.0 112.034 -177.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.64 1.48 12.12 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.455 0.645 . . . . 0.0 110.105 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.9 t70 72.79 72.93 0.14 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.825 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.666 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 37.6 mm -113.09 149.3 15.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.333 173.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 m-20 -42.87 -52.77 4.97 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.821 0.701 . . . . 0.0 111.859 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.8 m 69.93 0.86 3.23 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.993 0.808 . . . . 0.0 110.922 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -79.77 -157.8 0.15 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.339 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 1.4 tm? -65.39 -53.66 39.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.901 -0.136 . . . . 0.0 111.28 -174.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.1 m -59.71 -41.21 90.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.288 . . . . 0.0 111.394 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' HB2' ' HB2' ' A' ' 80' ' ' ASP . . . -66.12 -49.42 67.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.551 -178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 83' ' ' LEU . 20.8 ptp180 -67.1 -23.86 65.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.103 0.477 . . . . 0.0 110.459 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -76.83 -48.1 19.46 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.442 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.8 pt-20 -67.26 -47.74 69.8 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.436 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 3' ' ' ILE . 44.4 tp -57.63 -45.8 84.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.677 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.42 81.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.557 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 57.6 pttt -72.22 -25.84 61.8 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.539 -173.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 76.8 mm-40 -70.09 -27.09 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.074 0.464 . . . . 0.0 110.312 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 112' ' ' GLN . 91.4 mt -92.21 -21.38 20.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.528 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 145.1 -35.05 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.365 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.595 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 70.0 t80 70.73 124.25 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.622 0.725 . . . . 0.0 112.178 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.1 t -138.45 108.27 6.29 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.11 57.75 0.51 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.573 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.93 -87.6 0.33 Allowed 'General case' 0 C--N 1.321 -0.633 0 O-C-N 122.845 -0.209 . . . . 0.0 110.489 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -112.23 -2.7 14.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.431 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.766 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -66.65 -27.42 67.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.946 -174.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 105' ' ' MET . 5.4 t70 55.01 -158.09 0.21 Allowed 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.663 0.602 . . . . 0.0 109.815 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 17.5 m -77.99 -17.69 56.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.208 -0.308 . . . . 0.0 110.605 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.77 2.28 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.039 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.766 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 20.8 m -80.16 -15.98 55.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.562 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 26.0 ttt -65.03 -42.74 94.08 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.095 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -62.11 -41.57 98.36 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.41 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.638 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 57.2 mt -66.74 -65.25 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.315 -177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -56.39 -43.84 79.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.619 -174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' HB3' HG21 ' A' ' 70' ' ' ILE . 18.9 tp -66.05 -40.56 91.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.122 -176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.568 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -61.36 -36.1 79.28 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 70.8 mmtt -66.24 -56.04 13.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.046 0.451 . . . . 0.0 110.304 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.523 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -63.39 -43.38 97.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.009 -174.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 109' ' ' LEU . 73.1 t -58.75 -41.76 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.44 0.162 . . . . 0.0 111.035 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 118' ' ' VAL . 64.0 mtm -64.72 -37.08 86.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.722 0.296 . . . . 0.0 110.49 -178.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 t -64.68 -24.92 67.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.827 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -96.15 -11.63 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.671 0.272 . . . . 0.0 110.46 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.3 tp -100.74 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.661 -170.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 114' ' ' MET . 31.1 m -77.74 -6.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.825 0.345 . . . . 0.0 111.373 -174.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.76 -18.64 62.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 0.0 110.705 177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -83.55 15.2 3.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.222 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 111.39 3.43 27.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.132 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.52 133.84 28.05 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.54 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -107.87 128.82 54.96 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -111.2 151.97 43.47 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.075 -177.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 1.094 ' HG2' HD13 ' A' ' 128' ' ' ILE . 13.1 Cg_endo -60.74 155.12 50.57 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.451 2.101 . . . . 0.0 111.162 171.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.32 -6.51 6.85 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 123.67 2.913 . . . . 0.0 115.608 -167.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.678 ' HG2' HD12 ' A' ' 128' ' ' ILE . 3.1 pm0 -108.37 -6.1 16.4 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.503 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 1.094 HD13 ' HG2' ' A' ' 125' ' ' PRO . 2.7 mp -97.06 101.08 11.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.252 0.549 . . . . 0.0 109.646 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 1.9 tpmt? -155.62 93.11 1.45 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.261 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.634 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 24.5 ttt . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.372 0.13 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 1' ' ' MET . 48.8 m 81.26 90.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.324 0.65 . . . . 0.0 109.963 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.866 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.4 mt -58.09 -35.36 52.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.958 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.602 ' HB3' HG13 ' A' ' 113' ' ' VAL . 26.1 p90 -63.83 -29.67 70.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.31 -18.97 63.34 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.562 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 22.3 mtpp -82.28 -40.79 21.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.976 0.417 . . . . 0.0 110.796 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.5 pt -75.38 -30.51 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.009 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -67.81 -17.32 64.48 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -68.31 -28.65 67.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 0.0 110.864 -175.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.92 -39.92 14.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 117' ' ' LEU . 64.0 mt -66.87 -48.53 79.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.979 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -89.92 13.1 15.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.902 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.71 29.23 5.01 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.41 123.1 18.32 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.45 0.643 . . . . 0.0 111.735 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.2 t -139.97 17.54 2.47 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.614 173.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.64 -37.26 4.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.749 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.35 -32.56 13.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.892 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.87 45.63 3.19 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.398 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.482 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 22.7 m 71.71 159.16 0.16 Allowed Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.822 -177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 16.1 Cg_endo -57.19 136.14 74.62 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.563 2.175 . . . . 0.0 112.341 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.32 -152.38 20.38 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.131 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.37 130.65 2.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.39 122.83 23.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.684 0.278 . . . . 0.0 110.668 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -139.01 117.61 12.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.188 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -98.94 120.0 59.62 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.733 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.64 146.97 89.84 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.828 2.352 . . . . 0.0 111.646 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.07 61.68 2.66 Favored 'General case' 0 C--N 1.332 -0.167 0 O-C-N 123.596 0.56 . . . . 0.0 111.508 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -81.18 0.42 36.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.9 p -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.528 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 130.65 48.47 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.636 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.8 -38.33 58.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.883 0.373 . . . . 0.0 111.247 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.43 79.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.91 0.386 . . . . 0.0 111.163 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.8 -80.67 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 113.747 173.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.9 p 46.42 73.38 0.18 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.363 0.665 . . . . 0.0 111.035 -171.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -92.24 115.0 63.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.217 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_endo -88.38 174.26 4.36 Favored 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.862 2.375 . . . . 0.0 112.208 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 9.2 t -128.28 113.43 15.63 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -76.67 110.98 13.24 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.197 -176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 55.3 Cg_endo -99.8 106.06 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.125 0 C-N-CA 123.665 2.91 . . . . 0.0 112.661 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -97.26 129.83 31.09 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 108.62 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.884 2.39 . . . . 0.0 111.928 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -85.27 -26.87 26.38 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.725 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.7 146.31 33.68 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.332 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 83.76 8.91 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.883 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -84.7 -63.39 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.63 2.22 . . . . 0.0 113.002 -177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 p -78.58 127.98 32.88 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.023 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.6 mm -98.13 105.59 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.206 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -86.05 111.95 20.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG21 HG12 ' A' ' 118' ' ' VAL . 16.3 t -76.89 -21.87 14.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.31 -171.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -64.68 -62.47 4.9 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 31.2 Cg_endo -62.31 -29.09 79.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 C-N-CA 121.796 1.664 . . . . 0.0 112.19 -176.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.3 mt -63.83 -51.65 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.633 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 57' ' ' VAL . 63.5 mt -82.78 -35.06 26.84 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.304 -175.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -57.17 -38.48 73.66 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 111.161 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 39.6 mmtt -92.89 -19.36 21.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.706 -177.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.56 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 64' ' ' LEU . 55.2 t -58.4 -41.07 80.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.302 175.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -73.62 -20.17 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.725 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.25 -30.38 18.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -63.72 -49.23 73.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.153 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.53 6.68 12.9 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.01 -1.09 . . . . 0.0 113.395 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -137.54 159.84 40.82 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -71.1 115.3 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 110.369 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' A' ' 57' ' ' VAL . 63.3 mt -127.87 134.95 49.42 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.098 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -122.92 76.68 1.38 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 122.01 0.909 . . . . 0.0 109.914 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.684 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.8 p-90 -61.2 -19.64 61.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.383 -1.281 . . . . 0.0 111.667 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -66.37 -19.1 65.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.105 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -129.85 -28.51 2.2 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -107.81 126.29 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.772 -175.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.3 tp -79.45 -31.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 51.1 t -66.15 -37.71 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.34 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 4.9 m-20 -57.88 -51.16 70.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.762 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.684 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -70.68 -29.4 65.7 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.279 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.439 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 43.3 ttp -59.33 -54.31 48.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.126 0.488 . . . . 0.0 110.551 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HE3' ' CD2' ' A' ' 64' ' ' LEU . 42.7 pttt -75.73 -24.35 56.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.469 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.48 -50.13 60.48 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.658 0.599 . . . . 0.0 111.554 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.3 mm? -63.1 -68.75 0.31 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 173.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 12.3 t70 167.83 83.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.003 0.815 . . . . 0.0 109.913 170.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.484 ' H ' ' HA ' ' A' ' 75' ' ' LYS . 42.0 mm -132.37 138.56 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.021 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -57.74 -36.85 72.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.178 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 79' ' ' ILE . 20.3 m 66.7 16.25 10.34 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.648 177.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -78.14 -162.77 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.96 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.589 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -66.85 -47.08 73.05 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -176.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.7 t -58.08 -40.8 81.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.689 0.28 . . . . 0.0 111.18 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.99 35.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.441 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.589 ' HD2' HD22 ' A' ' 83' ' ' LEU . 12.5 ptp180 -62.7 -26.33 68.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.273 0.559 . . . . 0.0 110.308 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HG3' ' CD ' ' A' ' 91' ' ' LYS . 15.2 tppt? -68.63 -56.05 9.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.142 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.4 pt-20 -66.65 -37.82 85.61 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.605 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.4 tp -58.09 -47.89 81.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 110.467 -179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.19 81.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CD ' ' HG3' ' A' ' 87' ' ' LYS . 43.2 mtpt -53.97 -43.54 70.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.982 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.2 mm-40 -72.28 -27.83 62.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.169 0.509 . . . . 0.0 110.856 -177.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.0 mt -84.81 -10.83 56.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.129 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.0 -16.7 6.81 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 177.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 50.6 t80 54.4 82.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.213 0.605 . . . . 0.0 111.101 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.9 m -131.63 125.84 33.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.102 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.7 145.98 5.09 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.188 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -169.79 -63.87 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.744 0.307 . . . . 0.0 110.422 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -67.48 -18.76 65.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.144 0.497 . . . . 0.0 111.247 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.938 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -80.15 -14.06 58.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.199 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.4 t70 51.97 -155.14 0.17 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.725 0.64 . . . . 0.0 111.147 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -68.9 -31.49 70.45 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.575 0.35 . . . . 0.0 111.385 -175.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.08 -59.96 3.61 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.877 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.938 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 38.3 m -87.07 -10.36 53.13 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.996 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttt -63.97 -45.5 88.81 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.664 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 8.9 t30 -67.78 -31.25 71.02 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.961 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 75.2 mt -71.21 -59.18 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.844 0.354 . . . . 0.0 111.347 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -58.36 -47.54 83.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.277 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 113' ' ' VAL . 13.3 tp -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.38 -176.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 15.2 t-80 -57.17 -47.12 81.99 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.874 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -80.17 -30.23 38.82 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 -175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.97 -42.28 81.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.714 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.602 HG13 ' HB3' ' A' ' 4' ' ' PHE . 88.8 t -62.02 -35.9 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.528 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 86.9 mtp -61.75 -33.27 73.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 -179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 28.3 m -64.46 -22.16 66.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -101.25 -14.56 17.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.914 0.388 . . . . 0.0 110.032 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 11' ' ' ILE . 56.3 tp -99.97 -73.39 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.386 -173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.455 HG12 HG21 ' A' ' 49' ' ' VAL . 26.6 m -70.12 -18.69 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.71 -171.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.84 -10.68 59.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.685 0.279 . . . . 0.0 111.301 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.476 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -78.94 -5.11 52.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.168 -179.42 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.79 21.05 2.46 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.039 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -91.38 148.57 19.37 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.152 -0.547 . . . . 0.0 112.341 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -120.76 128.67 53.12 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.81 146.67 57.99 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.214 176.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.42 ' C ' ' H ' ' A' ' 127' ' ' GLU . 23.8 Cg_exo -65.42 157.23 59.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 111.156 174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 21.0 Cg_exo -66.09 15.43 0.1 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 123.04 2.493 . . . . 0.0 113.535 -176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 125' ' ' PRO . 21.8 mt-10 -85.7 -23.75 27.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.26 0.552 . . . . 0.0 109.808 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.26 76.82 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.075 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -160.01 79.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.13 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 26.5 p80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.169 -0.919 . . . . 0.0 109.474 178.192 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 120.379 0.133 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 47.6 m -156.25 59.47 0.57 Allowed 'General case' 0 CA--C 1.527 0.085 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.622 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 3.8 mt -56.31 -45.23 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -62.75 -21.09 65.57 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.62 0.247 . . . . 0.0 111.641 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.78 -14.17 59.94 Favored Glycine 0 C--O 1.225 -0.424 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.766 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.622 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.8 mtpp -89.93 -31.32 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.151 0.5 . . . . 0.0 110.204 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.2 pt -83.05 -30.29 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.458 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.83 63.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.318 -175.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -69.49 -23.49 63.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 0.0 110.615 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.19 -23.88 18.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.748 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HG21 ' A' ' 52' ' ' ILE . 56.3 mt -85.91 -57.9 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.417 0.627 . . . . 0.0 110.549 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' CD2' HG13 ' A' ' 47' ' ' ILE . 91.3 m-85 -86.5 8.73 20.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.143 -173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.57 8.14 43.41 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.206 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -83.36 117.93 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.522 0.677 . . . . 0.0 111.441 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 m -146.05 21.21 1.41 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.626 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 179.96 -27.6 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.064 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.59 88.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.061 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.18 -75.15 0.6 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.267 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.9 m 59.25 90.06 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 O-C-N 123.8 0.688 . . . . 0.0 111.623 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.12 123.93 10.82 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.647 2.231 . . . . 0.0 112.514 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.07 131.18 1.69 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.04 -28.75 5.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.417 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -89.22 157.13 18.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.796 0.331 . . . . 0.0 110.573 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -93.13 150.15 20.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.09 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.06 131.35 89.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 50.0 Cg_exo -53.76 104.29 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.801 2.334 . . . . 0.0 112.582 -177.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -130.14 173.53 10.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.398 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -73.94 113.65 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 110.948 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.2 t -132.83 155.61 48.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.068 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.12 126.74 9.66 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.462 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.07 5.41 50.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.179 0.514 . . . . 0.0 110.782 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 125.37 26.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.368 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.84 -105.24 2.4 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m 60.26 89.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.119 0.485 . . . . 0.0 111.153 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -87.5 118.4 69.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.398 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 10.9 Cg_exo -71.35 105.88 1.82 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.689 2.259 . . . . 0.0 111.636 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -80.87 -19.89 43.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.402 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 60.52 93.29 0.06 OUTLIER Pre-proline 0 N--CA 1.462 0.171 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.584 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.77 11.93 2.36 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.002 2.468 . . . . 0.0 112.416 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 40' ' ' GLN . 15.1 mm-40 71.12 149.2 0.12 Allowed Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.607 0.763 . . . . 0.0 111.603 -177.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 19.8 Cg_exo -65.47 132.79 32.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.754 2.303 . . . . 0.0 112.32 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.6 m -116.34 120.47 39.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.086 177.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.78 159.0 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.7 81.51 10.88 Favored Pre-proline 0 N--CA 1.45 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 110.65 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -81.68 -11.03 11.68 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.541 2.161 . . . . 0.0 111.504 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.6 p -109.98 109.36 19.92 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.983 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' ' 12' ' ' PHE . 40.3 mm -104.89 143.62 15.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.837 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -114.21 114.84 26.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -76.99 -23.58 14.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.966 -171.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.563 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.67 -59.65 12.95 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -172.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 41.0 Cg_endo -66.81 -32.99 35.52 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 121.569 1.513 . . . . 0.0 112.276 -175.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG21 ' HA ' ' A' ' 11' ' ' ILE . 72.1 mt -62.54 -50.65 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.585 -177.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 57' ' ' VAL . 10.9 mp -80.64 -27.47 37.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.295 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.3 -41.44 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.088 178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 40.3 mmtt -87.18 -24.4 24.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.262 179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.21 -28.9 70.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.715 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.8 t -62.06 -43.17 97.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.745 0.783 . . . . 0.0 109.453 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -78.59 -27.4 45.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.269 -176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -28.49 59.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.646 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 2.3 tpmt? -66.55 -51.31 57.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.278 0.561 . . . . 0.0 109.492 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 124.86 -23.16 6.29 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.422 174.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.17 161.62 13.64 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 117.89 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 64.2 mt -127.15 165.55 19.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 -176.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -140.47 84.19 1.94 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.623 0.725 . . . . 0.0 109.922 171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.697 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 64.1 p-90 -66.06 -15.01 62.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.579 -175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.51 -30.34 71.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -126.05 -23.43 3.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.533 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 122.03 43.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 110.626 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.12 -30.67 17.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 0.0 110.627 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 46.7 t -65.71 -34.21 68.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.515 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 31.5 m-20 -64.02 -51.34 64.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.55 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.697 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.79 -33.02 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.573 0.225 . . . . 0.0 110.629 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.414 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 45.8 ttp -56.15 -53.93 51.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.891 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 43.7 pttt -72.52 -38.36 68.08 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.441 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.574 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -49.12 -47.12 45.66 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.573 0.546 . . . . 0.0 112.176 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.5 mm? -73.49 -66.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -148.35 -12.12 0.35 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 81' ' ' SER . 35.0 mm -98.4 151.0 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.408 -165.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -86.03 0.33 53.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.718 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 79' ' ' ILE . 23.0 p 49.53 28.4 2.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.94 0.896 . . . . 0.0 112.848 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 22.7 t -80.72 171.94 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.42 -47.28 79.37 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.021 0.2 . . . . 0.0 110.568 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -54.28 -40.25 67.65 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.351 0.407 . . . . 0.0 110.934 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.97 -59.67 3.29 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.202 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 82' ' ' SER . 17.8 ptt180 -65.22 -16.65 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.737 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 tpmt? -79.36 -45.26 19.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.704 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 5.0 pt-20 -69.68 -42.47 74.1 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.367 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 3' ' ' ILE . 57.4 tp -56.16 -44.11 78.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.606 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.22 85.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 22.3 pttp -78.28 -21.77 49.26 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.692 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.704 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.1 mm-40 -73.21 -29.21 62.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' A' ' 112' ' ' GLN . 54.7 mt -90.7 -41.56 11.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.217 -176.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.12 -67.64 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.084 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 33.2 t80 64.08 29.95 14.01 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.451 0.643 . . . . 0.0 109.576 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 m -79.76 37.73 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.849 -175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.63 153.19 10.09 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.889 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.79 -36.29 0.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.893 0.378 . . . . 0.0 110.643 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -66.76 -7.49 21.6 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.787 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.1 p-10 -69.08 -21.96 64.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.495 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.2 t70 65.91 170.73 0.22 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.933 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.501 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 4.3 m -57.08 -27.21 61.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.83 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.11 -59.16 4.48 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.589 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.582 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.4 m -87.57 -14.16 40.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.501 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 59.0 ttp -69.92 -33.71 72.52 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.056 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' OD1' HG22 ' A' ' 70' ' ' ILE . 49.2 t30 -64.35 -39.2 93.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.116 0.484 . . . . 0.0 109.998 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.583 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 54.9 mt -69.71 -58.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.973 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -57.91 -42.1 84.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.656 -176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.563 ' HB3' HG21 ' A' ' 70' ' ' ILE . 14.5 tp -69.16 -36.47 77.42 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.141 -176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.576 ' HA ' HD13 ' A' ' 70' ' ' ILE . 45.4 t-80 -63.93 -35.63 81.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.261 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 23.2 mmmt -61.73 -63.75 1.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.633 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -57.06 -52.57 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.587 -172.065 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 89' ' ' LEU . 71.0 t -59.1 -43.3 88.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.216 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 118' ' ' VAL . 44.5 ttp -75.01 -27.57 60.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.119 -175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.0 m -66.42 -17.67 64.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.854 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -86.19 -57.44 3.02 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 172.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.2 mt -48.16 -62.75 1.32 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.33 -176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 114' ' ' MET . 31.5 m -68.43 -16.35 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.355 -173.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.8 -14.85 59.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.576 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -80.79 -4.66 55.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.544 177.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.99 23.91 4.09 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.4 125.4 8.28 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.576 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.6 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 13.1 tmtt? -92.31 143.01 26.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.6 ' N ' ' HD3' ' A' ' 123' ' ' LYS . 0.0 OUTLIER -134.22 150.81 75.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.99 0.424 . . . . 0.0 110.608 176.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 72.8 Cg_endo -77.4 163.66 29.62 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.581 2.187 . . . . 0.0 110.95 172.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.35 5.92 0.47 Allowed 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 122.868 2.379 . . . . 0.0 112.858 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -75.52 -27.09 58.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.308 0.575 . . . . 0.0 109.801 176.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 128' ' ' ILE . 4.1 mp -115.53 100.04 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.014 177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.753 ' HD2' ' N ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -73.63 -50.71 19.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.478 -177.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.753 ' N ' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.187 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m 89.81 75.45 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 123.966 0.906 . . . . 0.0 110.987 168.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.601 ' HB ' HD13 ' A' ' 89' ' ' LEU . 27.0 mt -54.9 -35.98 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.515 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -58.87 -30.49 67.78 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 111.234 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.59 -20.45 44.31 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.645 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.4 mtpp -83.93 -34.25 24.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.61 0.243 . . . . 0.0 111.269 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 3' ' ' ILE . 27.5 pt -74.96 -35.26 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -67.56 -18.15 64.91 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 -178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -64.16 -34.21 77.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.513 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.83 -0.27 57.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.5 mt -110.14 -59.84 3.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HZ ' ' HA ' ' A' ' 118' ' ' VAL . 90.2 m-85 -88.72 -8.88 53.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.996 -175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.65 -1.41 37.14 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.39 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -106.76 158.03 17.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.84 0.352 . . . . 0.0 110.2 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 m -151.38 18.94 0.74 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.372 0.606 . . . . 0.0 110.22 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.92 -39.86 3.05 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.043 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -59.38 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.727 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' HB3' HG12 ' A' ' 52' ' ' ILE . . . -133.49 132.98 41.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -176.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -152.88 102.58 2.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -78.02 147.48 23.9 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.334 2.022 . . . . 0.0 112.723 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.41 -148.5 19.77 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.751 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.64 70.07 2.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.95 140.91 29.29 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.665 0.269 . . . . 0.0 110.298 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -106.05 138.91 41.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.182 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -64.64 140.32 97.99 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.647 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -64.87 91.56 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.599 -178.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.16 102.86 6.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.463 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 m -133.74 150.12 51.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.305 -176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -61.06 -33.59 73.55 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.947 0.403 . . . . 0.0 111.506 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.15 -104.06 0.51 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.46 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.279 0.562 . . . . 0.0 110.224 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.29 103.69 15.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.838 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.28 60.56 0.67 Allowed Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.39 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.5 m -67.62 114.88 6.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.899 0.381 . . . . 0.0 110.022 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.72 142.46 40.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.402 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.73 128.93 29.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.779 2.319 . . . . 0.0 112.196 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -92.09 29.78 1.56 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.204 0.526 . . . . 0.0 111.363 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 102.64 52.99 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.018 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -89.98 127.1 1.48 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.324 2.683 . . . . 0.0 111.748 176.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 61.7 tt0 -102.75 115.33 64.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 6.0 Cg_exo -80.36 117.55 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.216 2.61 . . . . 0.0 111.829 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.7 m -144.2 130.19 19.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.27 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.44 172.72 4.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.474 0.654 . . . . 0.0 112.23 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.23 90.42 6.71 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.129 -0.941 . . . . 0.0 108.48 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.75 12.58 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.909 2.406 . . . . 0.0 113.395 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -152.17 135.26 15.74 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 43.2 mm -102.18 108.26 23.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.781 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 5.5 t0 -78.51 107.32 11.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -176.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 38.5 t -87.41 -19.85 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 -172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.98 -56.05 34.78 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.088 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 50' ' ' ALA . 24.0 Cg_endo -61.76 -34.08 83.94 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.915 1.744 . . . . 0.0 112.326 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.569 HG12 ' HB3' ' A' ' 18' ' ' ALA . 48.9 mt -63.91 -44.38 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.707 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 57' ' ' VAL . 69.1 mt -84.98 -38.34 19.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.032 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.25 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.839 0.352 . . . . 0.0 110.99 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -74.56 -29.35 61.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.73 0.3 . . . . 0.0 110.446 176.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.78 64.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.012 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 53' ' ' LEU . 70.2 t -60.06 -52.05 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.392 0.615 . . . . 0.0 110.213 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -78.36 -24.3 46.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.619 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.82 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.29 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 32.1 tptt -73.15 -41.82 63.51 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.538 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.82 -25.83 5.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.626 170.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -94.07 178.32 5.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -93.64 78.32 4.3 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 57' ' ' VAL . 56.1 mt -74.33 140.37 44.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.71 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -119.89 87.08 2.67 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.837 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.525 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 65.0 p-90 -80.89 -10.98 59.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -69.36 -28.12 65.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -132.86 -25.67 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.936 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.5 m -101.91 127.48 48.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.254 0.55 . . . . 0.0 110.987 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.557 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.0 tp -80.96 -31.52 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.831 -176.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 50.7 t -64.9 -37.24 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.009 0.433 . . . . 0.0 110.569 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -51.55 66.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.847 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.4 pp -69.89 -28.5 65.68 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.252 -178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 44.7 ttp -59.0 -52.9 63.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.209 0.528 . . . . 0.0 110.681 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.888 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 34.1 pttt -74.17 -30.88 62.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.172 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.61 -48.47 28.34 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.901 0.75 . . . . 0.0 111.584 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 77' ' ' LEU . 3.4 mm? -67.39 -76.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.16 72.78 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.767 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.54 HG21 HD13 ' A' ' 3' ' ' ILE . 30.6 mm -137.72 147.07 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -54.75 -31.87 59.08 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.888 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 76.1 p 58.21 15.47 3.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.04 0.936 . . . . 0.0 111.391 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t -91.27 -161.5 0.82 Allowed 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.126 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.56 -56.92 15.3 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 122.867 0.467 . . . . 0.0 111.044 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 88' ' ' GLU . 18.6 m -62.5 -26.69 68.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.525 -176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.2 -63.09 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -63.74 -31.65 72.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.303 -178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.6 -40.22 69.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.087 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.565 ' OE2' HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -73.69 -41.68 62.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -177.036 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.601 HD13 ' HB ' ' A' ' 3' ' ' ILE . 51.2 tp -60.63 -41.72 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.479 0.657 . . . . 0.0 110.106 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 95' ' ' TYR . . . -68.57 -45.02 73.19 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.18 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 63.8 pttt -68.12 -20.71 64.94 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -174.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 5.8 mm-40 -73.28 -37.61 66.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.165 0.507 . . . . 0.0 110.124 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.74 -34.62 16.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.052 -176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.74 -39.33 0.23 Allowed Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.826 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.586 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 26.1 t80 71.18 105.29 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.492 0.717 . . . . 0.0 111.25 179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 t -142.06 102.06 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -155.93 77.08 0.2 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.98 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -142.11 -77.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 23.4 ptp -74.4 -26.11 59.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.269 0.557 . . . . 0.0 110.655 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.932 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 5.4 p-10 -87.59 -9.22 54.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.157 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t70 52.46 -152.05 0.27 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.781 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -80.31 -29.31 38.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.898 0.38 . . . . 0.0 110.979 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.36 3.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.739 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.932 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.4 m -74.04 -25.04 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.582 -177.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 56.4 ttp -68.73 -37.93 79.79 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.458 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -67.35 -41.75 84.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.329 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.14 -51.35 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.373 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -57.27 -49.19 76.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 111.341 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 70' ' ' ILE . 22.9 tp -65.0 -34.74 79.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.394 -176.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.557 ' HA ' HD13 ' A' ' 70' ' ' ILE . 48.7 t-80 -64.3 -39.15 93.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.821 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -67.54 -53.7 26.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.279 0.562 . . . . 0.0 109.951 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -61.38 -48.41 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.791 -173.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.504 HG21 HD21 ' A' ' 89' ' ' LEU . 65.2 t -58.68 -42.33 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.558 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 117' ' ' LEU . 78.6 mtp -71.13 -19.49 62.43 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.136 -175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.7 t -69.54 -20.48 63.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.442 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -106.18 -3.32 21.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.054 0.454 . . . . 0.0 109.901 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' A' ' 114' ' ' MET . 0.4 OUTLIER -98.99 -76.75 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.588 -173.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.406 ' HA ' ' HZ ' ' A' ' 12' ' ' PHE . 27.2 m -75.9 -11.04 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.771 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.0 -2.85 13.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.37 . . . . 0.0 111.272 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 52.0 m-80 -87.8 14.54 8.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.97 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.36 16.32 20.83 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.25 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -81.51 137.08 17.0 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.804 -178.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.3 ttmt -97.92 133.45 42.4 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.514 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.88 154.37 79.25 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.055 176.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 127' ' ' GLU . 20.9 Cg_endo -63.4 147.82 93.17 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.065 1.843 . . . . 0.0 110.865 173.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 22.0 Cg_exo -66.66 15.41 0.11 Allowed 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.123 2.549 . . . . 0.0 113.227 -177.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 125' ' ' PRO . 7.4 mm-40 -83.79 -20.99 32.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.759 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 128' ' ' ILE . 4.0 mp -96.63 83.29 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.574 0.702 . . . . 0.0 109.716 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.619 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -164.49 94.22 0.69 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.365 178.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.823 179.015 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -173.2 93.91 0.11 Allowed 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.117 0.567 . . . . 0.0 109.881 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 1.038 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 12.3 mt -65.07 -33.31 62.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -60.77 -28.08 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 110.565 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.29 -22.01 57.61 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.696 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.038 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.3 mtpp -78.82 -43.5 25.13 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.4 pt -70.36 -36.59 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.265 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -69.23 -22.53 63.86 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.604 0.24 . . . . 0.0 110.687 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.87 -17.25 62.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.982 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 -40.42 9.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.46 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 117' ' ' LEU . 79.3 mt -64.14 -54.49 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -81.59 12.56 3.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.075 0.464 . . . . 0.0 110.906 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.7 -15.54 61.42 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.944 -0.645 . . . . 0.0 111.618 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -83.5 110.52 18.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.304 0.573 . . . . 0.0 111.021 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m -128.06 -9.73 5.38 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.222 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.94 16.05 0.11 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.956 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.18 -43.93 7.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 0.0 110.27 -176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.28 -79.35 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.131 176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m 65.73 142.1 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.413 0 O-C-N 123.864 0.728 . . . . 0.0 112.049 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.52 106.04 1.55 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.65 2.233 . . . . 0.0 112.82 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.45 -163.43 33.98 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.7 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.48 -104.71 0.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.742 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 54.76 78.51 0.17 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.254 0.549 . . . . 0.0 110.423 -173.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -110.2 124.1 50.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -176.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.35 149.63 36.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -65.97 112.42 2.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.455 2.103 . . . . 0.0 111.972 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.22 162.37 13.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.736 -177.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m 64.68 27.83 13.14 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.685 0.755 . . . . 0.0 110.535 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.4 p -78.83 -71.8 0.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.461 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.96 21.0 5.32 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.94 166.98 31.82 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 134.95 56.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.58 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.08 63.53 0.62 Allowed Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.734 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -73.17 -32.94 65.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.501 0.191 . . . . 0.0 110.684 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 71.17 152.48 0.14 Allowed Pre-proline 0 N--CA 1.469 0.503 0 O-C-N 123.855 0.722 . . . . 0.0 111.852 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.15 102.37 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.404 2.069 . . . . 0.0 112.439 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.59 83.99 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.216 0.531 . . . . 0.0 110.968 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.79 101.12 52.3 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.619 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.87 144.04 47.07 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.513 2.142 . . . . 0.0 111.726 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -156.6 145.32 14.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.072 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.24 121.9 10.32 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.876 2.384 . . . . 0.0 111.59 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.5 m -83.6 85.62 7.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.427 0.632 . . . . 0.0 111.367 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.45 165.44 11.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.355 172.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -135.13 82.1 42.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.003 0.43 . . . . 0.0 110.617 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -89.23 9.65 3.46 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.926 2.418 . . . . 0.0 111.866 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.7 m -145.33 106.18 4.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.996 178.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 48.8 mm -108.8 106.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.987 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -91.62 110.9 22.23 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.698 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.15 -19.42 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.584 -171.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -56.69 -60.96 7.77 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.199 -176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 37.1 Cg_endo -66.18 -34.52 36.25 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.659 1.573 . . . . 0.0 112.276 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.498 HG21 ' HA ' ' A' ' 11' ' ' ILE . 64.0 mt -60.69 -46.27 96.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.5 -42.91 11.81 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.399 -0.52 . . . . 0.0 111.788 -175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 21.5 t70 -59.54 -41.87 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.842 -176.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.564 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 53.9 mmtt -79.87 -31.96 40.42 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.904 -177.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.81 69.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.208 0.527 . . . . 0.0 110.072 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 64' ' ' LEU . 3.6 t -56.97 -56.52 14.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.456 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -77.56 -5.61 50.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.133 0.492 . . . . 0.0 110.742 -179.193 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.52 -15.19 38.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.222 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -84.28 -37.75 21.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.26 -67.15 0.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.573 -0.823 . . . . 0.0 113.496 171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -101.76 179.06 4.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.552 0.215 . . . . 0.0 111.126 -172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -78.37 106.39 10.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.576 0.703 . . . . 0.0 109.204 176.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.701 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 95.5 mt -104.29 153.22 21.28 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.501 -1.227 . . . . 0.0 108.751 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -127.0 87.99 2.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.527 0.679 . . . . 0.0 110.731 -176.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.54 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 60.0 p-90 -71.44 -13.01 61.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.276 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -68.32 -26.29 65.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.0 p -120.15 -48.81 2.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.828 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 75.6 m -92.13 132.62 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.21 0.528 . . . . 0.0 111.382 -171.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 109' ' ' LEU . 9.4 tp -89.69 -35.4 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.297 -177.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -68.72 -23.69 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 122.104 0.954 . . . . 0.0 108.987 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.701 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 15.5 t70 -63.2 -62.44 1.69 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 113.635 -1.621 . . . . 0.0 111.491 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.0 pp -64.18 -27.04 68.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.668 -176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.524 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 47.9 ttp -58.67 -49.71 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 72' ' ' ASP . 19.0 ptpt -68.83 -28.84 67.09 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.79 -46.86 88.87 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.484 0.49 . . . . 0.0 111.504 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.52 -3.64 25.73 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.008 0.432 . . . . 0.0 110.399 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.3 t70 80.54 84.29 0.05 OUTLIER 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.804 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.2 mm -128.18 157.44 40.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 114.429 -1.26 . . . . 0.0 108.665 175.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -45.18 -52.23 9.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.387 0.429 . . . . 0.0 111.377 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m 67.69 15.93 9.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.606 173.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.4 t -94.9 -156.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 83' ' ' LEU . 2.7 tm? -66.0 -41.09 91.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.862 -0.154 . . . . 0.0 110.622 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -60.54 -47.32 86.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 111.177 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.69 -51.16 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.149 0.499 . . . . 0.0 110.921 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -59.6 -27.2 66.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.843 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 91' ' ' LYS . 3.2 tppp? -71.59 -54.09 11.6 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.63 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 6.9 pt-20 -66.3 -36.78 83.83 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.702 -176.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.569 HD13 ' HB ' ' A' ' 3' ' ' ILE . 59.0 tp -63.67 -40.78 97.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.168 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.11 -44.06 77.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.264 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 41.3 mtmt -53.91 -42.26 68.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.015 0.436 . . . . 0.0 111.103 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -72.18 -30.13 64.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.729 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 112' ' ' GLN . 90.8 mt -94.39 -18.11 21.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.34 -35.81 0.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.999 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.502 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 56.0 t80 61.84 79.11 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.61 0.719 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -137.22 91.53 2.62 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.006 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.33 101.27 0.2 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.185 -177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -147.61 -78.67 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 110.661 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -88.71 1.95 54.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.074 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.1 p-10 -96.21 -1.78 47.53 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.41 -176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 62.47 174.29 0.14 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.085 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -64.71 -21.32 66.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 173.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.32 -59.48 4.36 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.458 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 18.3 m -79.48 -29.56 41.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.85 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -65.53 -40.34 92.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.171 -176.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -67.11 -36.47 82.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.005 0.431 . . . . 0.0 110.567 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.0 mt -75.85 -50.41 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.546 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -62.56 -49.91 73.43 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.677 0.275 . . . . 0.0 111.437 -176.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.551 ' HB3' HG21 ' A' ' 70' ' ' ILE . 16.0 tp -60.77 -37.86 83.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.901 -178.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.602 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.9 t-80 -60.18 -40.84 91.41 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.722 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.1 mtpp -61.35 -53.02 62.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.426 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.509 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 tp-100 -67.24 -34.18 76.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.752 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 109' ' ' LEU . 70.3 t -62.39 -43.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.897 176.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.606 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 51.8 mtm -60.1 -36.74 78.12 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.915 0.388 . . . . 0.0 110.61 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.2 t -62.94 -26.32 68.76 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.915 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 112' ' ' GLN . 10.6 mptt -99.38 -4.28 31.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.178 0.513 . . . . 0.0 110.515 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.525 HD11 HD12 ' A' ' 11' ' ' ILE . 61.9 tp -105.08 -72.34 0.71 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 33.0 m -74.47 -12.12 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.701 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.62 -12.95 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.266 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -84.04 5.65 25.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.427 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.8 14.32 9.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.445 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -84.14 130.93 10.06 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.405 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.31 139.25 31.88 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.2 156.56 78.95 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.623 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 50' ' ' ALA . 11.3 Cg_exo -71.01 159.4 52.58 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.263 1.975 . . . . 0.0 110.709 174.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 17.3 Cg_exo -68.51 33.43 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 123.264 2.643 . . . . 0.0 113.239 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.496 ' HB2' HD12 ' A' ' 128' ' ' ILE . 27.8 mt-10 -106.67 -30.39 9.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 177.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.2 mp -111.11 85.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.024 -169.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 10.0 ttpt 172.21 124.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.028 169.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.848 174.162 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 27.1 ttt . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.819 0.342 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.74 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 26.6 m 80.27 95.85 0.05 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.201 173.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.64 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 7.9 mt -68.01 -26.63 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.192 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.499 ' HB3' HG13 ' A' ' 113' ' ' VAL . 36.2 p90 -63.49 -25.65 68.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.112 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.54 -28.83 25.96 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 49.6 mttm -68.31 -38.15 81.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.044 0.45 . . . . 0.0 110.212 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 3' ' ' ILE . 40.8 pt -80.58 -38.95 18.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.817 -177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -16.58 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.705 0.288 . . . . 0.0 110.851 -176.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.31 -30.46 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.08 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.4 -38.69 12.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.525 178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.88 -44.71 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.025 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD2' HG13 ' A' ' 47' ' ' ILE . 92.7 m-85 -98.79 15.92 23.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.115 0.483 . . . . 0.0 110.345 178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.3 21.96 9.11 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.447 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.8 145.35 44.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.698 0.285 . . . . 0.0 110.419 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 p -147.55 31.16 0.89 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.671 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.32 -36.46 0.1 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.04 -48.61 4.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB1' HG12 ' A' ' 52' ' ' ILE . . . -96.46 1.56 51.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.867 0.365 . . . . 0.0 111.336 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 m -69.96 134.35 87.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.797 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 37.2 Cg_endo -67.11 104.53 0.87 Allowed 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.795 2.33 . . . . 0.0 112.893 -178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.72 150.79 19.6 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.416 -0.674 . . . . 0.0 111.416 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -75.71 73.37 1.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.122 -0.561 . . . . 0.0 113.181 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.44 104.37 11.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.715 0.293 . . . . 0.0 110.345 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -126.13 151.03 47.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.517 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -81.1 143.54 53.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 176.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 21.5 Cg_exo -65.0 164.6 24.3 Favored 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.756 2.304 . . . . 0.0 112.096 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.43 125.04 23.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.397 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.9 m 74.14 -42.08 0.5 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.414 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.832 ' HB ' ' HB3' ' A' ' 32' ' ' ALA . 1.7 p -82.16 77.74 8.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.35 0.595 . . . . 0.0 111.351 -177.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.38 115.2 7.57 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.697 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.06 13.33 9.04 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 123.071 0.548 . . . . 0.0 112.002 177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 29' ' ' THR . . . -89.76 -10.48 45.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.106 0.479 . . . . 0.0 110.784 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.24 110.93 3.61 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.128 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -63.05 131.55 48.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.661 0.267 . . . . 0.0 111.311 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -147.33 119.31 4.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -80.42 128.07 6.87 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.665 2.243 . . . . 0.0 112.52 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.0 m -86.4 89.01 7.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.286 0.565 . . . . 0.0 110.197 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.57 84.74 18.38 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.701 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.82 -24.83 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.406 2.07 . . . . 0.0 112.7 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 51.24 78.3 0.41 Allowed Pre-proline 0 C--O 1.233 0.2 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.923 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -61.19 102.65 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.932 2.422 . . . . 0.0 112.426 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -150.25 17.75 0.85 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.693 0.758 . . . . 0.0 109.731 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.04 147.12 23.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.407 -179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -165.13 90.2 0.96 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.923 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.79 -58.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 122.35 2.034 . . . . 0.0 112.86 -176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -152.88 161.84 42.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' A' ' 12' ' ' PHE . 46.4 mm -92.84 100.43 11.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.309 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -78.57 104.08 8.94 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.95 -21.99 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.478 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -60.89 -58.57 18.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.607 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 37.1 Cg_endo -64.84 -30.14 58.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.899 1.732 . . . . 0.0 112.285 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.42 HG12 ' HB1' ' A' ' 18' ' ' ALA . 46.9 mt -62.45 -54.14 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.492 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.6 mp -78.01 -31.06 50.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.474 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -58.38 -49.23 77.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.006 0.431 . . . . 0.0 110.492 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -28.13 40.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.358 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.95 79.3 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.825 0.345 . . . . 0.0 110.658 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 64' ' ' LEU . 38.4 t -60.12 -49.9 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.279 0.561 . . . . 0.0 110.541 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.53 -33.76 76.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.045 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.44 -2.15 57.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.381 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.578 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 43.6 tptt -83.21 -47.62 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.818 0.342 . . . . 0.0 110.373 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.18 -38.29 0.37 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.987 -1.102 . . . . 0.0 113.375 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -146.82 -173.68 4.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.028 0.414 . . . . 0.0 111.532 -174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.24 121.75 26.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.393 -176.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 57' ' ' VAL . 57.2 mt -130.98 144.68 51.66 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.291 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -121.0 87.98 2.85 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.589 0.709 . . . . 0.0 110.563 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.811 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 62.3 p-90 -71.88 -13.39 61.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.761 -174.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -63.33 -47.89 80.3 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.675 178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.2 t -102.47 -36.07 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 49.8 m -91.82 114.35 26.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -174.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.8 tp -72.96 -24.79 21.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.337 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 71.8 t -77.75 -29.92 16.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.457 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 28.5 m-20 -65.78 -43.63 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.785 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.811 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.8 pp -70.64 -29.46 65.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.789 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 39.7 ttp -63.97 -47.56 79.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 19.0 ptpt -74.6 -31.16 61.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -56.36 -41.39 76.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.66 0.6 . . . . 0.0 111.735 -177.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 4.4 mm? -65.14 -77.67 0.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 27.5 t70 177.77 62.89 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.407 0.623 . . . . 0.0 110.508 174.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' ' 81' ' ' SER . 45.4 mm -123.01 142.15 40.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.602 177.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -66.22 -27.87 68.31 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.243 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.576 ' H ' HG22 ' A' ' 79' ' ' ILE . 40.4 p 56.4 26.91 11.3 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.801 0.84 . . . . 0.0 112.157 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 t -83.44 -156.32 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -52.92 18.53 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.009 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.1 m -58.68 -39.09 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.528 0.204 . . . . 0.0 111.283 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.81 -56.89 14.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.365 178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -65.02 -25.26 67.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.779 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.73 -44.44 41.86 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.524 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -72.44 -40.32 67.16 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.442 -176.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.581 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.5 tp -55.41 -44.4 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.131 0.491 . . . . 0.0 110.588 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.16 75.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.147 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 19.7 pttp -72.31 -25.34 61.53 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 121.179 -0.208 . . . . 0.0 111.51 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.807 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 7.7 mm-40 -66.54 -38.18 86.6 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 175.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 112' ' ' GLN . 75.6 mt -74.43 -39.25 62.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.356 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.48 -26.22 0.59 Allowed Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.701 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.574 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 47.0 t80 63.29 83.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.513 0.673 . . . . 0.0 110.252 -177.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.8 m -125.44 118.77 26.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.238 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.9 159.94 23.09 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.913 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -158.62 -68.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -111.33 21.21 16.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 1.018 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.9 p-10 -92.88 -31.39 14.98 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.8 t70 61.98 -178.84 0.13 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 46.0 m -63.75 -25.42 68.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.195 -0.316 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.24 -59.73 4.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 1.018 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.7 m -79.82 -17.21 53.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.782 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.523 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 58.5 tpp -66.81 -36.84 83.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.861 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 10.0 t30 -65.48 -27.78 68.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.92 0.391 . . . . 0.0 110.521 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 63.5 mt -75.29 -56.63 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.271 -177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -62.83 -47.96 81.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.99 0.424 . . . . 0.0 111.483 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.44 -34.15 74.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.939 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.654 ' CE1' ' HA ' ' A' ' 130' ' ' HIS . 49.3 t-80 -61.07 -39.17 88.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.477 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.536 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 27.9 mmmt -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.163 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 93' ' ' LEU . 33.2 mm-40 -59.1 -47.77 84.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.801 -173.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 4' ' ' PHE . 77.5 t -59.32 -40.31 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -177.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.658 ' HG3' ' HB2' ' A' ' 130' ' ' HIS . 20.5 mmt -68.48 -33.55 74.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.091 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 m -67.05 -20.64 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.037 0.446 . . . . 0.0 110.689 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.0 mmtt -99.07 -6.32 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.34 -71.41 0.74 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -172.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 114' ' ' MET . 34.7 m -72.35 -13.94 16.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.003 -171.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.74 -7.95 51.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.791 0.329 . . . . 0.0 111.317 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -89.21 2.68 53.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.424 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.58 11.72 5.9 Favored Glycine 0 N--CA 1.453 -0.202 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.217 -178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.19 134.12 14.34 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.239 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -110.24 129.21 55.77 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 122.844 0.458 . . . . 0.0 110.325 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.51 149.41 69.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.228 174.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.563 ' HD2' HG12 ' A' ' 128' ' ' ILE . 3.8 Cg_exo -77.83 170.27 19.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.829 2.352 . . . . 0.0 111.086 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.09 3.31 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.55 2.167 . . . . 0.0 112.18 175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -76.37 -23.84 54.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.686 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.563 HG12 ' HD2' ' A' ' 125' ' ' PRO . 18.0 mm -101.79 99.78 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.221 -176.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 1.1 tpmt? -95.86 104.24 16.16 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.658 ' HB2' ' HG3' ' A' ' 114' ' ' MET . 2.1 p80 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.508 -171.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 26.5 m -103.33 91.41 4.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.589 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.5 mt -64.73 -29.99 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.825 -173.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -62.83 -23.06 67.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.082 0.468 . . . . 0.0 110.73 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.06 -7.57 59.57 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.827 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 2' ' ' SER . 8.3 mtpm? -90.38 -32.67 16.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.038 0.447 . . . . 0.0 110.254 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.4 pt -76.4 -30.07 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.546 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.8 62.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.5 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -63.81 -28.19 69.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.257 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -95.62 -26.37 15.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.995 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.67 -52.33 18.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.175 0.512 . . . . 0.0 110.569 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -91.92 20.16 5.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.832 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.17 12.38 37.19 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.72 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -81.42 159.34 24.31 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.0 t -177.05 -38.01 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 -174.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -153.92 26.11 0.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.74 -60.89 1.44 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 -176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.14 -58.58 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.308 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 59.7 p 51.31 97.09 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.484 0 O-C-N 124.134 0.896 . . . . 0.0 111.793 -177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.552 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 12.3 Cg_endo -55.11 133.89 60.65 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.277 2.651 . . . . 0.0 112.901 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.0 -135.3 2.32 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.175 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -158.2 141.36 7.64 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.54 93.13 4.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.171 0.51 . . . . 0.0 111.819 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -90.33 97.07 10.97 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.43 137.76 24.41 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 0.0 111.6 -173.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.61 -164.2 0.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.861 2.374 . . . . 0.0 111.341 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.11 17.89 10.86 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.25 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -75.86 -36.46 59.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.547 0.689 . . . . 0.0 109.609 173.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.7 m -97.45 155.59 16.86 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.07 78.75 0.21 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.395 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.77 128.02 10.54 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.35 86.71 4.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.973 0.416 . . . . 0.0 110.799 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.47 41.22 1.21 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.101 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.0 m -84.31 59.72 5.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.449 0.642 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -109.19 137.96 20.32 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.607 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 16.4 Cg_exo -67.66 94.25 0.38 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.424 2.083 . . . . 0.0 111.656 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 t -97.01 0.24 48.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.186 0.517 . . . . 0.0 110.594 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.14 140.75 24.63 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.91 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.18 165.55 29.35 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.828 2.352 . . . . 0.0 112.861 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -85.07 141.34 37.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.72 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.56 108.41 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.702 2.268 . . . . 0.0 111.27 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -91.57 127.94 37.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 66.68 -175.78 0.19 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.481 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -152.14 85.82 4.57 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.35 -14.16 22.84 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.513 2.142 . . . . 0.0 112.105 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -148.24 146.97 28.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.526 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -108.69 105.25 18.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.676 0.274 . . . . 0.0 110.584 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 2.4 t70 -85.25 104.71 15.35 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -81.66 -22.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.644 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.57 57.3 Favored Pre-proline 0 CA--C 1.539 0.529 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 57.4 Cg_endo -71.66 -23.97 22.32 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.632 1.555 . . . . 0.0 112.419 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.08 -58.23 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.73 0.3 . . . . 0.0 110.68 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' VAL . 2.0 tp -69.41 -47.7 63.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.422 -171.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 18.3 t70 -67.51 -34.97 78.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.68 0.276 . . . . 0.0 111.524 -174.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -81.59 -20.75 39.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.338 . . . . 0.0 111.004 178.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.71 -21.49 51.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 171.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 53' ' ' LEU . 14.2 t -66.7 -47.94 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.637 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.95 65.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.254 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.15 -12.06 59.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.9 tpmt? -84.91 -56.46 3.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 166.09 -60.36 0.23 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.007 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -101.96 168.33 9.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.496 0.188 . . . . 0.0 110.531 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -87.76 92.86 9.27 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.453 0.644 . . . . 0.0 109.635 -179.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 67.0 mt -84.23 156.05 22.2 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.306 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -119.33 89.1 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.386 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 58.4 p-90 -71.36 -6.32 39.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.379 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.638 ' HA ' HD11 ' A' ' 128' ' ' ILE . 83.2 mtt180 -73.64 -29.82 62.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.036 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.5 p -118.13 -42.78 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.617 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -97.13 118.63 33.98 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 -173.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 HD12 HD21 ' A' ' 73' ' ' LEU . 10.9 tp -77.86 -29.46 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.244 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.57 -33.25 60.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.595 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 12.2 m-20 -57.87 -57.6 12.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.301 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.2 pp -69.45 -29.69 67.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.322 -176.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 37.7 ttp -58.95 -54.73 43.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.924 0.392 . . . . 0.0 110.446 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -70.45 -32.27 69.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.551 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.579 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -48.78 -46.3 41.32 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.695 0.622 . . . . 0.0 111.871 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.4 mm? -63.02 -73.63 0.11 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -179.63 25.27 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.392 0.615 . . . . 0.0 110.595 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' SER . 49.7 mm -93.3 142.09 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.423 -173.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.91 -35.38 66.52 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.92 -175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 79' ' ' ILE . 90.8 p 61.65 14.42 6.04 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 113.689 170.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 26.1 p -84.71 -174.39 5.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 122.437 -0.164 . . . . 0.0 110.875 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.1 -42.17 65.68 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.188 0.305 . . . . 0.0 110.534 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -62.15 -34.93 77.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.91 -51.34 33.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -65.46 -26.35 67.91 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.863 179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -63.16 -56.77 13.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.73 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.0 pt-20 -68.24 -41.54 81.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.851 -178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.589 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.5 tp -57.47 -43.62 84.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.909 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.583 ' HB1' ' HD1' ' A' ' 95' ' ' TYR . . . -69.55 -43.23 73.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.715 -178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 18.5 pttp -72.03 -26.92 62.39 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.211 -0.195 . . . . 0.0 111.387 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 67.9 mm-40 -71.54 -26.56 62.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 176.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.2 mt -85.2 -28.53 25.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.22 -24.37 3.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.093 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.583 ' HD1' ' HB1' ' A' ' 90' ' ' ALA . 51.3 t80 57.41 81.83 0.13 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.188 0.518 . . . . 0.0 111.303 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -107.57 18.07 21.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.323 0.582 . . . . 0.0 110.671 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -108.24 93.68 0.82 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -105.25 -89.61 0.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.485 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -93.51 15.76 15.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.063 0.458 . . . . 0.0 111.206 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.514 ' ND2' ' HB2' ' A' ' 104' ' ' SER . 1.9 p-10 -92.77 6.75 46.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.552 177.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 105' ' ' MET . 42.0 m-20 64.55 -174.25 0.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.054 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m -67.71 -21.66 65.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.942 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.71 -69.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.585 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.514 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 3.7 m -73.59 -16.5 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 0.7 OUTLIER -66.36 -47.51 73.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.85 179.683 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 70' ' ' ILE . 6.3 t30 -66.09 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.827 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 72.6 mt -66.96 -57.22 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.04 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -59.06 -44.77 91.87 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.434 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.49 HD23 HG12 ' A' ' 70' ' ' ILE . 7.9 tt -68.43 -33.19 73.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.476 -175.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -65.0 -36.32 84.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.955 0.407 . . . . 0.0 110.28 178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 27.3 mmmt -63.47 -51.82 64.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.852 178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -67.65 -42.35 82.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.992 -172.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.29 -36.04 74.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.644 ' HG2' HG21 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -66.75 -32.79 74.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 110.372 179.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.7 t -68.45 -23.32 64.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.33 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 73.9 mmtt -91.18 -8.08 49.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.244 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.2 mt -107.11 -73.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.039 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 114' ' ' MET . 25.7 m -67.36 -15.74 20.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.946 -169.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.97 -9.67 58.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -93.17 16.57 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.76 0.314 . . . . 0.0 111.274 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.28 18.72 16.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.22 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.22 125.4 7.34 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.475 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -88.25 132.76 34.25 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 177.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.74 HD21 ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -127.54 161.47 54.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.387 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 127' ' ' GLU . 11.9 Cg_exo -71.5 167.29 26.81 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.672 2.248 . . . . 0.0 110.813 172.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.59 26.04 0.17 Allowed 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 122.923 2.415 . . . . 0.0 112.753 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.676 ' HB2' HD12 ' A' ' 128' ' ' ILE . 7.6 mm-40 -95.62 -35.52 11.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.225 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 127' ' ' GLU . 3.8 mp -133.78 100.89 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -172.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.74 ' HE3' HD21 ' A' ' 124' ' ' LEU . 28.9 ttmt -167.41 128.48 1.52 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.421 169.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.403 ' C ' ' HZ1' ' A' ' 111' ' ' LYS . 57.8 t-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.314 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.453 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 15.8 m -102.97 101.93 11.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.049 0.452 . . . . 0.0 110.544 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.577 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.1 mt -73.35 -26.19 22.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.129 -172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -63.54 -24.55 67.86 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.063 174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.06 -20.12 47.68 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 174.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.567 ' HD2' ' HA ' ' A' ' 3' ' ' ILE . 88.6 mttt -74.52 -42.96 57.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.059 0.457 . . . . 0.0 110.254 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.1 pt -74.83 -34.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.913 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -11.58 60.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.585 0.231 . . . . 0.0 111.124 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -63.66 -34.27 77.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.23 -39.72 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.431 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.2 mt -59.8 -49.35 84.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.23 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -100.16 20.05 15.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.58 9.75 9.24 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.943 -177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -131.89 156.46 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.031 0.416 . . . . 0.0 111.532 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -153.38 24.04 0.54 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.828 173.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.35 -30.18 0.29 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -173.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.22 113.58 27.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.143 -0.348 . . . . 0.0 111.579 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.82 1.62 3.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.098 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.52 141.68 39.36 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.672 0.272 . . . . 0.0 110.369 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.467 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 27.7 Cg_endo -62.33 123.62 12.79 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.765 2.31 . . . . 0.0 112.697 -176.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.26 -68.88 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.779 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.09 -178.34 15.69 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.219 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.27 165.49 34.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -95.44 161.34 14.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.983 0.42 . . . . 0.0 110.541 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . . . -119.27 121.76 29.96 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.335 179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 25' ' ' ALA . 18.1 Cg_endo -60.89 114.98 2.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.575 2.183 . . . . 0.0 111.631 178.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.87 94.33 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.859 0.361 . . . . 0.0 111.642 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.8 m -81.42 146.78 30.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 35.0 m -64.07 111.94 2.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.948 0.404 . . . . 0.0 111.149 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.82 -68.16 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.266 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.1 -60.48 2.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.481 0.181 . . . . 0.0 111.122 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.72 -63.6 0.35 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.771 0.828 . . . . 0.0 112.184 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.59 54.26 4.9 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.811 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.0 m -155.13 106.37 2.6 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.0 140.38 21.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.353 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.84 105.12 1.6 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.247 1.964 . . . . 0.0 111.317 173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.8 p -73.38 95.4 2.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.455 -177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.94 102.89 21.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.538 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.04 150.07 85.55 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.658 2.239 . . . . 0.0 111.405 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -94.76 116.9 66.86 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.725 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.1 96.97 1.09 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.598 2.199 . . . . 0.0 110.31 169.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m -78.33 87.86 4.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.753 -174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.18 143.87 9.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.264 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -164.74 76.55 1.47 Allowed Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.244 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -86.57 -10.63 6.26 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.466 2.111 . . . . 0.0 112.383 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -130.69 146.93 52.29 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -105.92 109.1 26.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.721 -177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 18.9 t0 -80.51 107.42 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.9 t -84.52 -21.29 8.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -173.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -59.57 -52.6 72.91 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.535 -175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 7.5 Cg_exo -66.76 -35.73 26.8 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.565 1.51 . . . . 0.0 111.824 -177.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.01 -46.48 96.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.9 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 57' ' ' VAL . 77.4 mt -78.43 -39.14 39.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.065 -176.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -42.66 99.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -72.81 -30.65 64.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.626 0.25 . . . . 0.0 110.616 177.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.44 -33.63 75.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.2 t -58.0 -51.6 68.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.041 178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 12.1 ptmm? -72.69 -20.55 61.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.911 -177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.84 -31.8 31.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.323 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -47.43 86.04 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.733 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 127.45 16.22 2.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 119.923 -1.132 . . . . 0.0 114.175 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -159.96 166.09 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.484 0.642 . . . . 0.0 110.587 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 115.21 19.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 89.8 mt -110.26 160.2 16.73 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.457 -179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -123.83 64.8 1.04 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.95 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 48.0 p-90 -65.71 -10.62 38.37 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.049 -172.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 24.3 mmt-85 -59.42 -50.79 72.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.839 0.352 . . . . 0.0 110.652 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -111.33 -29.71 7.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.443 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -87.18 108.36 18.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.93 0.395 . . . . 0.0 110.341 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.521 HD12 HD21 ' A' ' 73' ' ' LEU . 11.1 tp -69.98 -24.95 26.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.28 0.562 . . . . 0.0 110.765 -176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.0 t -72.23 -29.44 32.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.745 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.531 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 77.3 m-20 -70.99 -47.82 56.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.856 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.95 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.751 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.416 ' N ' HD12 ' A' ' 73' ' ' LEU . 42.6 ttp -65.73 -50.98 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.471 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 81' ' ' SER . 17.0 ptpt -72.64 -31.89 65.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.747 -178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.48 91.11 Favored 'General case' 0 CA--C 1.52 -0.211 0 O-C-N 123.619 0.574 . . . . 0.0 111.632 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.5 OUTLIER -62.77 -68.82 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.544 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 170.58 62.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.433 0.458 . . . . 0.0 110.088 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 6' ' ' LYS . 48.6 mm -130.2 151.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.694 0.283 . . . . 0.0 111.288 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.53 -47.67 57.42 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.376 0.67 . . . . 0.0 112.13 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' HB3' ' A' ' 75' ' ' LYS . 91.5 p 59.34 16.12 4.83 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.276 1.03 . . . . 0.0 113.458 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -87.15 -159.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 83' ' ' LEU . 1.9 tm? -62.91 -40.03 96.35 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -53.31 57.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.087 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.62 -45.28 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.953 0.406 . . . . 0.0 111.568 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 -65.98 -24.15 66.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.12 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -73.56 -47.74 38.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.496 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 18.8 pt-20 -72.04 -43.49 64.89 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.376 -177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.577 HD13 ' HB ' ' A' ' 3' ' ' ILE . 49.6 tp -55.98 -41.69 75.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.967 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.93 -42.16 85.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.685 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 19.5 pttp -73.89 -27.84 61.26 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.192 -175.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 6.8 mm-40 -66.06 -29.85 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.008 0.433 . . . . 0.0 110.147 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 112' ' ' GLN . 78.5 mt -91.54 -8.97 45.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.386 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 133.43 -31.95 2.79 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.259 176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.685 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 31.4 t80 64.25 95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.171 0.51 . . . . 0.0 110.579 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.4 m -139.84 141.92 36.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.911 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.31 148.71 4.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.938 -179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -162.2 -75.46 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.737 0.303 . . . . 0.0 111.649 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -98.98 11.44 38.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 0.0 111.116 -174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.958 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -92.16 -5.71 52.08 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.981 -174.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 105' ' ' MET . 9.0 t70 53.71 -154.75 0.24 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.563 0.539 . . . . 0.0 110.219 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.448 ' H ' ' CG ' ' A' ' 101' ' ' ASP . 8.7 m -81.33 -20.92 39.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.525 -178.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -67.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.778 -176.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.958 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.4 m -75.07 -16.61 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.484 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 13.5 tpt -65.52 -47.04 77.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.408 -177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 7.4 t30 -64.22 -31.91 73.29 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.635 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.74 -45.61 65.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 111.441 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -60.51 -52.85 63.42 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.015 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.82 -34.68 77.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.077 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 70' ' ' ILE . 27.6 t-80 -57.35 -43.81 83.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.963 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -69.97 -51.48 32.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.564 ' HB2' HD13 ' A' ' 93' ' ' LEU . 28.5 mm-40 -57.91 -49.43 76.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.94 -172.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 93' ' ' LEU . 58.0 t -61.58 -44.68 99.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 178.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 118' ' ' VAL . 6.4 tpt -65.02 -34.6 78.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.393 . . . . 0.0 110.577 -174.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 t -69.8 -22.15 63.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 72.2 mmtt -90.05 -9.95 46.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.18 0.514 . . . . 0.0 109.871 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.5 tp -102.03 -72.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.787 -173.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 114' ' ' MET . 27.3 m -73.88 -18.02 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -170.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.33 -15.42 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.632 0.253 . . . . 0.0 111.318 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -80.18 -8.35 59.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.504 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.11 17.17 2.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.287 -178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -83.96 141.34 20.02 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.369 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.548 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 59.1 tttt -94.85 128.18 41.41 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 122.651 0.38 . . . . 0.0 110.213 177.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.533 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.64 145.88 56.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 176.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 31.7 Cg_exo -62.3 147.54 94.8 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.361 2.041 . . . . 0.0 110.996 175.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.0 Cg_exo -66.12 32.81 0.12 Allowed 'Trans proline' 0 N--CA 1.479 0.664 0 C-N-CA 123.728 2.952 . . . . 0.0 113.48 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 125' ' ' PRO . 27.1 mt-10 -100.61 -24.46 14.44 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.451 ' HB ' HD23 ' A' ' 124' ' ' LEU . 4.3 mp -102.54 116.02 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.534 -177.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 2.1 tpmt? -155.85 -41.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.115 178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.256 -177.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 ttm . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -170.93 85.78 0.1 Allowed 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.362 0.665 . . . . 0.0 109.218 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.593 ' HB ' HD13 ' A' ' 89' ' ' LEU . 14.7 mt -52.0 -41.54 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -60.11 -29.34 68.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.619 0.247 . . . . 0.0 111.491 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.65 -13.64 66.99 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.975 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -86.78 -49.13 7.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.1 pt -64.24 -36.35 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.794 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.3 ptp -63.24 -26.96 69.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 m -75.57 -14.09 60.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.616 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.5 -10.72 20.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.245 0.545 . . . . 0.0 110.607 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.451 HD12 HD21 ' A' ' 117' ' ' LEU . 71.1 mt -102.65 -52.65 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.461 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CD2' HG13 ' A' ' 47' ' ' ILE . 57.5 m-85 -82.67 3.91 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.806 -178.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.48 12.99 12.19 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -82.09 157.19 24.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.761 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.7 m -135.14 75.36 1.56 Allowed 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.888 0.375 . . . . 0.0 111.109 175.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.53 41.15 0.59 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.452 170.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.67 91.48 6.44 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.992 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 55' ' ' LYS . . . 63.96 35.0 11.06 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.714 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 150.29 77.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.372 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' HG3' ' A' ' 51' ' ' PRO . 41.3 Cg_endo -66.78 140.05 54.44 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.74 2.293 . . . . 0.0 112.29 -177.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.91 39.09 5.3 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.611 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.14 148.39 19.33 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.292 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.62 176.43 6.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.0 110.676 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -118.46 116.71 27.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.72 108.58 56.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.282 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -83.32 177.13 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.939 2.426 . . . . 0.0 112.211 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.31 88.14 4.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.969 177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 m -99.74 116.31 31.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.397 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -100.3 151.23 21.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 110.564 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.62 -41.74 0.65 Allowed Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.7 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 71.69 -62.21 0.47 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.411 0.685 . . . . 0.0 111.635 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 128.81 37.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 110.677 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.2 119.13 1.38 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.2 p -83.24 109.38 17.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.194 0.521 . . . . 0.0 111.608 -174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . . . -116.89 110.23 42.13 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.922 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 35' ' ' ALA . 29.7 Cg_endo -62.06 141.54 89.23 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.867 2.378 . . . . 0.0 112.604 -176.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.441 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 13.7 m -103.36 93.39 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.731 177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -102.17 102.21 23.31 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.334 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 37' ' ' THR . 74.1 Cg_endo -85.79 103.65 0.74 Allowed 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 122.504 2.136 . . . . 0.0 112.044 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.26 127.48 76.28 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.579 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.36 114.76 1.81 Allowed 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 123.09 2.527 . . . . 0.0 112.793 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -107.79 150.4 27.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.72 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.38 166.55 25.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.962 0.41 . . . . 0.0 111.075 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.66 84.82 8.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.866 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -87.04 2.39 6.99 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.867 2.378 . . . . 0.0 112.209 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 m -145.88 149.93 35.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.631 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.1 mm -97.2 108.44 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.651 0.263 . . . . 0.0 110.721 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 4.5 t0 -80.7 103.96 10.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -82.38 -32.1 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.661 -171.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -55.09 -54.91 45.04 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.463 -174.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HG3' ' HD3' ' A' ' 20' ' ' PRO . 30.8 Cg_endo -63.79 -40.14 30.38 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.923 1.749 . . . . 0.0 112.273 -177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.26 -40.89 79.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' O ' HG23 ' A' ' 57' ' ' VAL . 11.2 mp -87.05 -34.39 19.2 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.566 -176.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' C ' ' HE3' ' A' ' 55' ' ' LYS . 29.8 t70 -62.86 -31.27 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.024 177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' CB ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -86.05 -30.69 22.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.689 175.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.3 -31.22 72.34 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.211 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 53' ' ' LEU . 69.4 t -60.05 -48.77 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.371 0.605 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -66.53 -38.47 87.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.474 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.46 67.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.021 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.659 ' HE2' ' HD3' ' A' ' 75' ' ' LYS . 50.5 tttp -68.89 -54.23 16.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 156.85 -44.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.036 -1.078 . . . . 0.0 113.225 172.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -112.08 164.96 12.57 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -173.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 4.6 tmtt? -97.47 106.11 18.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.046 0.451 . . . . 0.0 110.367 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 ' HB2' ' CG ' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -114.13 -170.67 1.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.091 178.677 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.02 96.18 3.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.092 0.472 . . . . 0.0 111.894 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.3 p-90 -72.96 -20.69 60.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.6 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -63.53 -26.13 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.9 t -121.86 -28.81 4.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.45 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -103.63 121.04 42.12 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.085 -0.385 . . . . 0.0 110.825 -176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.546 HG22 ' OD1' ' A' ' 106' ' ' ASN . 11.1 tp -76.37 -18.93 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.429 0.633 . . . . 0.0 109.435 177.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.451 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 46.3 t -71.53 -32.76 47.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.286 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.548 ' CG ' ' HB2' ' A' ' 64' ' ' LEU . 15.2 t0 -68.11 -64.76 0.8 Allowed 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.454 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -55.73 -27.15 49.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 0.0 111.46 -175.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.455 ' HG3' HG21 ' A' ' 3' ' ' ILE . 48.5 ttp -60.74 -56.41 21.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.706 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.659 ' HD3' ' HE2' ' A' ' 60' ' ' LYS . 18.3 ptpt -75.91 -30.47 58.76 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.845 -174.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . . . -53.71 -53.69 48.53 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.905 0.882 . . . . 0.0 112.048 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.9 mm? -62.36 -68.13 0.36 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.394 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 29.4 t70 175.9 79.8 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.366 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 3' ' ' ILE . 31.0 mm -140.09 144.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.89 0.376 . . . . 0.0 111.236 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -47.26 -47.51 24.85 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.037 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.509 ' H ' HG22 ' A' ' 79' ' ' ILE . 96.2 p 63.58 18.75 11.3 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.426 1.09 . . . . 0.0 113.172 172.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.8 t -95.73 -152.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.24 -46.03 85.59 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -57.15 -47.4 81.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.617 -177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.51 -51.83 63.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.522 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -58.73 -31.69 68.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.672 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -73.48 -44.89 56.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.044 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.7 pt-20 -68.2 -43.96 76.91 Favored 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.813 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD13 ' HB ' ' A' ' 3' ' ' ILE . 40.3 tp -58.37 -41.3 84.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.571 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.93 -49.1 61.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.726 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.0 pttp -73.54 -24.92 60.19 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -171.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 64.0 mm-40 -77.63 -25.26 49.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.879 0.371 . . . . 0.0 110.259 177.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 112' ' ' GLN . 66.5 mt -87.3 -28.49 22.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.198 178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.55 -31.36 0.76 Allowed Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 120.244 -0.979 . . . . 0.0 113.199 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.59 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 10.5 t80 60.58 25.71 15.4 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.96 0.504 . . . . 0.0 110.106 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -62.62 121.03 12.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.98 -176.54 22.48 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.995 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -172.28 -71.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.185 0.517 . . . . 0.0 110.656 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.2 2.13 45.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.19 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.991 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.6 p-10 -82.02 -14.01 56.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.689 -177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 102' ' ' SER . 13.2 t70 54.89 -159.72 0.18 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.561 0.538 . . . . 0.0 110.418 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 71.1 m -78.1 -21.56 50.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.61 0.243 . . . . 0.0 110.888 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.3 -61.07 2.65 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.132 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.991 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 21.4 m -82.21 -8.75 59.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.549 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 50.6 ttm -74.42 -31.28 62.25 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' OD1' HG22 ' A' ' 70' ' ' ILE . 36.2 t30 -66.59 -35.54 80.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.313 0.578 . . . . 0.0 109.737 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.9 mt -74.6 -53.9 15.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.292 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 76.8 t90 -60.74 -46.77 89.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.057 0.456 . . . . 0.0 111.267 -178.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 89' ' ' LEU . 25.5 tp -63.63 -35.81 81.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.336 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.54 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.8 t-80 -56.67 -51.67 67.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.009 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.71 ' HG3' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -70.72 -32.64 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.614 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.71 HE21 ' HG3' ' A' ' 111' ' ' LYS . 26.9 mm-40 -65.55 -47.09 77.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.766 0.317 . . . . 0.0 110.361 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.498 HG22 HD11 ' A' ' 89' ' ' LEU . 81.7 t -60.05 -35.05 58.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.963 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.8 mtp -58.81 -38.73 79.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -70.3 -17.22 63.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.246 -177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -102.83 -12.58 17.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.943 0.402 . . . . 0.0 110.526 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD21 HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -104.83 -79.18 0.56 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.024 0.44 . . . . 0.0 111.066 -170.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.0 -10.83 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.083 -171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.03 -11.74 61.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.173 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -87.5 10.13 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.742 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 110.46 18.28 8.68 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.516 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -79.79 135.23 14.77 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.169 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.45 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 28.1 ttmt -91.37 125.29 36.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.484 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.26 149.51 70.09 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.314 174.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 43.4 Cg_endo -71.64 151.43 58.2 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.053 1.835 . . . . 0.0 110.516 170.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.2 Cg_exo -64.53 7.91 0.22 Allowed 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.121 2.547 . . . . 0.0 113.377 -176.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 125' ' ' PRO . 8.7 mm-40 -78.54 -26.04 45.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.022 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 128' ' ' ILE . 3.9 mp -94.91 78.94 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 121.924 0.868 . . . . 0.0 109.738 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 25.0 mtpp -133.74 83.54 2.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.129 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.48 ' OXT' ' HB3' ' A' ' 111' ' ' LYS . 91.8 m-70 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.073 -175.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 2' ' ' SER . 13.7 tpt . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.6 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 59.1 m 85.94 84.17 0.02 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.39 170.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.602 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 8.8 mt -60.33 -30.75 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.514 -175.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 113' ' ' VAL . 30.1 p90 -63.18 -25.82 68.52 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.939 177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.67 -14.1 55.8 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 111.276 -0.73 . . . . 0.0 111.276 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.4 mtpp -86.56 -31.14 21.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.883 0.373 . . . . 0.0 111.001 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -82.53 -28.92 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.584 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -18.72 65.14 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.426 -174.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -61.14 -26.87 67.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 111.455 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.11 -14.93 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.312 . . . . 0.0 111.233 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.2 mt -95.0 -53.31 8.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.234 0.54 . . . . 0.0 110.492 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -95.1 2.89 55.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.521 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.74 7.36 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.491 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -111.89 178.75 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.9 m -139.25 -5.99 1.41 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 68.96 -43.17 0.51 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.593 0.757 . . . . 0.0 112.669 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 64.59 28.74 13.26 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.124 0.569 . . . . 0.0 110.647 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.704 ' HB1' ' HA ' ' A' ' 23' ' ' ALA . . . -167.89 -44.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.121 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 20.2 m 70.91 159.15 0.16 Allowed Pre-proline 0 N--CA 1.465 0.308 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.334 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.521 ' HG3' ' HB2' ' A' ' 48' ' ' ASP . 18.0 Cg_endo -59.25 100.46 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.48 2.12 . . . . 0.0 111.99 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.69 -84.5 0.19 Allowed Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.952 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.36 50.47 4.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.491 -177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.704 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . . . -83.4 136.84 34.18 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -73.05 104.45 4.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.389 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.97 141.45 22.91 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.512 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -67.96 98.5 0.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.369 2.046 . . . . 0.0 112.327 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.96 123.04 7.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.991 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t -135.62 141.09 45.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.985 0.421 . . . . 0.0 110.472 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.1 p -108.2 14.87 24.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.493 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.96 -80.51 1.1 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.615 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.08 102.67 13.68 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.75 133.28 31.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.855 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.99 51.71 4.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.079 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.3 m -81.0 103.51 10.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.038 0.447 . . . . 0.0 110.878 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.486 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -149.36 136.29 10.82 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.409 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 8.0 Cg_exo -71.51 91.78 0.68 Allowed 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.752 2.302 . . . . 0.0 111.617 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.4 t -106.62 -3.94 20.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -116.32 93.72 40.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.74 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.72 112.52 3.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.624 2.216 . . . . 0.0 112.406 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -90.06 147.3 36.83 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.301 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.04 140.01 76.41 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.588 2.192 . . . . 0.0 112.493 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.2 m -64.29 120.51 12.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.45 -178.06 6.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.617 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.14 87.2 14.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.18 -59.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.337 2.025 . . . . 0.0 113.35 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -155.22 150.52 27.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.1 mm -102.69 113.7 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.521 ' HB2' ' HG3' ' A' ' 20' ' ' PRO . 16.8 t0 -92.53 111.33 22.88 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -78.8 -23.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.289 -174.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -60.5 -57.57 25.63 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 33.9 Cg_endo -67.14 -20.88 49.48 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 121.653 1.568 . . . . 0.0 112.418 -179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -71.15 -54.4 17.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.877 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' O ' HG23 ' A' ' 57' ' ' VAL . 48.0 mt -81.8 -37.65 26.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -170.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.42 -36.17 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.651 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 52.8 mmtt -88.13 -24.32 23.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.268 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.12 -23.18 63.95 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.321 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 53' ' ' LEU . 53.4 t -62.73 -44.51 99.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.535 0.683 . . . . 0.0 109.641 174.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -75.35 -20.69 58.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.242 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.42 -17.01 50.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.637 177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.584 ' HD3' ' O ' ' A' ' 76' ' ' ALA . 42.9 tptt -80.56 -52.53 7.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.515 176.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.76 -3.08 3.45 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.305 -0.95 . . . . 0.0 113.392 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -139.95 164.86 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.746 0.273 . . . . 0.0 110.954 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HA ' ' HE3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.62 124.6 30.97 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 47.4 mt -132.42 161.78 32.79 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -126.64 89.99 3.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.594 0.711 . . . . 0.0 111.286 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 66.8 p-90 -79.07 -18.13 53.98 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.354 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -65.81 -26.67 67.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.626 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -118.52 -46.65 2.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.345 -176.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.9 m -97.52 126.6 42.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.191 -171.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 HD21 ' A' ' 73' ' ' LEU . 11.0 tp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.44 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.486 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -70.01 -29.89 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -64.66 -52.22 58.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.168 -179.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.5 pp -69.06 -30.96 69.4 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.7 -178.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 42.0 ttp -57.72 -53.91 52.87 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.882 0.372 . . . . 0.0 110.738 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 40.4 pttt -70.5 -38.64 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.963 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.584 ' O ' ' HD3' ' A' ' 60' ' ' LYS . . . -49.18 -38.35 25.49 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.912 0.757 . . . . 0.0 111.972 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.1 mm? -74.1 -82.92 0.05 Allowed 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.72 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -153.47 8.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.108 0.48 . . . . 0.0 111.666 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 46.1 mm -100.88 135.54 36.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.7 -166.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.79 -46.86 51.32 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.259 -1.337 . . . . 0.0 112.279 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 m 67.03 19.37 10.54 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 173.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.4 t -85.53 -151.96 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.63 -50.24 65.75 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.6 m -57.18 -37.41 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.706 0.289 . . . . 0.0 111.56 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.65 49.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.24 -178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -66.19 -24.81 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.05 0.452 . . . . 0.0 110.165 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -70.62 -51.06 30.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.806 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 2.6 pt-20 -74.37 -44.23 53.07 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 120.326 -0.549 . . . . 0.0 111.038 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 3' ' ' ILE . 22.8 tp -57.7 -40.92 80.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.495 -177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.96 89.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.035 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 21.6 pttp -70.4 -28.56 65.16 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 -174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.6 mm-40 -65.5 -27.47 68.5 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 112' ' ' GLN . 56.2 mt -90.17 -44.97 9.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.717 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 167.32 -26.38 0.15 Allowed Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.029 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 30.7 t80 66.35 18.41 10.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.204 0.601 . . . . 0.0 110.814 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.0 m -79.4 72.61 6.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.09 0.471 . . . . 0.0 110.47 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.36 119.48 0.7 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.31 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -158.92 -55.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.548 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -71.05 -10.91 60.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.252 0.549 . . . . 0.0 111.197 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.748 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.4 p-10 -93.33 6.3 48.59 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.44 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 t70 62.94 -174.83 0.15 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.536 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 23.6 m -76.29 -17.01 59.66 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.53 -66.73 0.37 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.269 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.748 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 14.2 m -73.67 -19.32 60.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.004 0.431 . . . . 0.0 110.325 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.437 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 58.6 ttp -70.97 -33.32 70.34 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.589 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 49.6 t30 -66.11 -34.75 78.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.073 0.463 . . . . 0.0 110.277 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.458 ' O ' ' HG3' ' A' ' 111' ' ' LYS . 55.9 mt -76.95 -56.55 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.19 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.52 -50.51 67.69 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.041 0.448 . . . . 0.0 111.444 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.457 ' HG ' HD12 ' A' ' 93' ' ' LEU . 6.8 tt -66.67 -32.97 74.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.368 -175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.5 t-80 -60.18 -44.82 94.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.902 0.382 . . . . 0.0 110.422 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.538 ' HD2' ' OXT' ' A' ' 130' ' ' HIS . 31.7 mtmt -69.57 -44.36 71.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.769 -176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.552 ' HB3' HD13 ' A' ' 93' ' ' LEU . 8.1 tp-100 -66.28 -39.42 89.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.417 -175.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.546 HG13 ' HB3' ' A' ' 4' ' ' PHE . 70.9 t -67.81 -34.49 67.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 176.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.622 ' O ' HG22 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -63.2 -34.77 78.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.304 177.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.5 m -63.3 -11.96 25.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.364 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -98.0 -64.83 1.0 Allowed 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.95 -66.91 0.33 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.068 -0.969 . . . . 0.0 113.109 -175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 114' ' ' MET . 19.4 m -69.87 -14.7 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.232 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.56 -6.09 59.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.305 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -82.45 -8.79 59.61 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.398 173.107 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 122.41 21.83 2.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.659 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.09 134.83 12.0 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.204 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 123' ' ' LYS . 1.5 tmmt? -95.11 137.41 34.2 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -127.64 149.4 70.2 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.446 179.271 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 127' ' ' GLU . 3.2 Cg_exo -77.26 161.36 32.11 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.941 2.427 . . . . 0.0 111.073 174.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -66.31 16.75 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.032 2.488 . . . . 0.0 113.464 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 125' ' ' PRO . 46.0 mt-10 -85.42 -16.89 38.28 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.448 ' HB ' HD23 ' A' ' 124' ' ' LEU . 45.2 mm -90.11 114.88 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.76 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -78.15 118.2 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.538 ' OXT' ' HD2' ' A' ' 111' ' ' LYS . 52.3 t-80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.934 -178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 5.3 mmt . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.963 0.411 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.542 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.6 m -97.37 91.91 5.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.236 -171.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.938 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.9 mt -67.5 -27.8 39.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.714 -173.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HB3' HG13 ' A' ' 113' ' ' VAL . 14.9 p90 -63.01 -26.03 68.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.946 176.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.84 -6.54 65.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.61 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.938 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 21.2 mtpp -94.97 -40.06 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.8 pt -67.86 -37.24 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.198 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.457 ' HB2' ' HD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -73.66 -10.66 59.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.98 -177.268 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -64.76 -28.87 69.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.1 0.476 . . . . 0.0 110.365 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -96.47 2.52 52.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.793 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 52' ' ' ILE . 67.5 mt -108.0 -55.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.999 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' HD1' ' HB2' ' A' ' 8' ' ' MET . 94.1 m-85 -93.07 11.71 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.45 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.01 16.76 13.1 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -135.65 150.31 49.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.046 0.451 . . . . 0.0 111.364 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 t -151.97 13.24 0.6 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.244 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.88 -33.3 0.65 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -172.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.17 82.74 3.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 0.0 111.422 -174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.23 31.08 19.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -60.83 150.46 76.8 Favored Pre-proline 0 C--O 1.236 0.373 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.034 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.49 101.8 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.692 2.261 . . . . 0.0 112.791 -177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.96 133.48 3.04 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.872 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.14 85.49 1.57 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.108 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.19 114.96 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.796 0.332 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -93.26 124.0 36.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.938 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.17 116.93 67.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.64 120.24 6.95 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.42 2.08 . . . . 0.0 111.919 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.31 83.59 7.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.1 m -66.24 108.71 2.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.616 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.8 m -131.89 137.79 48.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.959 -173.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.47 -155.21 21.8 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.978 176.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.9 118.42 36.5 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 64.02 98.29 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.986 0.804 . . . . 0.0 110.985 -177.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.67 151.88 19.42 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.472 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -102.54 97.28 7.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.014 0.435 . . . . 0.0 110.794 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.54 117.55 52.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -81.01 161.02 20.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.569 2.179 . . . . 0.0 112.894 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -120.47 105.99 11.38 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.671 0.748 . . . . 0.0 109.621 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -90.81 152.5 44.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.212 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 6.2 Cg_exo -79.9 116.03 3.38 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.057 2.505 . . . . 0.0 111.833 175.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -93.8 109.75 43.31 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 4.0 Cg_exo -80.75 100.93 1.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.932 2.421 . . . . 0.0 111.179 174.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.8 m -76.28 96.59 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.75 -178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.39 144.07 47.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.713 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -163.49 91.76 1.14 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.828 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.98 -18.47 16.66 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.519 2.146 . . . . 0.0 112.404 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -144.24 148.53 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.392 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.8 mm -107.69 114.81 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.348 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -89.24 114.49 25.84 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.12 -20.1 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.959 -174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 51' ' ' PRO . . . -59.81 -54.52 54.78 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 -174.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 39.2 Cg_endo -67.34 -11.39 32.02 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.15 1.9 . . . . 0.0 112.767 -176.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 11' ' ' ILE . 56.1 mt -86.53 -53.85 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.556 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 57' ' ' VAL . 8.9 mp -78.71 -36.4 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -174.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 24.1 t70 -63.96 -33.5 75.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.009 0.433 . . . . 0.0 111.003 -176.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.1 mmtt -89.74 -29.42 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.104 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.61 72.85 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.431 176.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.615 HG13 ' HB2' ' A' ' 64' ' ' LEU . 24.9 t -49.36 -55.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.466 174.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 6.7 ptmt -80.5 -14.36 58.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.792 -174.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.88 -24.81 26.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.0 110.431 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -71.07 -50.77 30.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 148.8 -47.76 0.63 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 119.908 -1.139 . . . . 0.0 113.635 173.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -95.99 168.64 10.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.808 0.337 . . . . 0.0 111.327 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 112.43 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 177.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB2' HG13 ' A' ' 57' ' ' VAL . 95.8 mt -118.78 170.05 9.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.363 -177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -155.94 86.29 1.04 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.003 0.906 . . . . 0.0 110.092 172.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.457 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.9 p-90 -59.58 -15.26 17.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.418 -177.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.519 ' H ' ' HD2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -69.83 -16.18 63.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.187 -179.338 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.0 p -125.49 -40.0 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' A' ' 72' ' ' ASP . 40.6 m -98.6 136.33 38.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -171.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 8.6 tp -89.25 -37.9 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.362 -178.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.2 t -65.56 -24.12 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 122.079 0.943 . . . . 0.0 108.629 176.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.79 ' HB2' ' HB2' ' A' ' 69' ' ' SER . 10.3 t70 -58.2 -68.91 0.21 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 113.482 -1.69 . . . . 0.0 111.262 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.0 pp -64.28 -27.11 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.8 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.417 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 52.2 ttp -60.15 -57.4 12.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.83 0.348 . . . . 0.0 110.606 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 58.7 pttt -71.3 -31.33 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.536 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.06 -44.13 61.08 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.711 0.632 . . . . 0.0 111.917 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.9 mm? -65.75 -70.39 0.24 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.684 177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.7 t70 179.6 30.27 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 110.491 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 81' ' ' SER . 50.6 mm -97.6 141.26 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.233 -176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -55.77 -30.15 60.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.347 -172.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.582 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 79.4 p 54.78 20.39 3.01 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.653 0.781 . . . . 0.0 111.395 -175.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' A' ' 86' ' ' ARG . 19.1 t -86.61 -178.5 6.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HA ' ' HE ' ' A' ' 86' ' ' ARG . 2.6 tm? -49.5 -51.16 38.14 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.341 0.4 . . . . 0.0 110.782 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.3 m -52.53 -49.03 65.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.714 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.39 -60.18 3.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.192 -174.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 82' ' ' SER . 24.9 ptt180 -61.6 -26.4 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 111.527 -177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -70.62 -51.72 26.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.332 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.651 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 12.5 pt-20 -73.22 -32.52 64.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.817 -173.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 39.6 tp -60.31 -43.83 95.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.113 0.482 . . . . 0.0 110.244 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.7 80.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.578 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 40.9 mtpt -60.17 -40.48 90.08 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.749 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 12.8 mm-40 -63.9 -33.31 75.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.705 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.571 HD13 ' HB3' ' A' ' 112' ' ' GLN . 94.0 mt -83.64 -34.21 25.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.373 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 155.5 -29.61 0.62 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.633 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.562 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 29.5 t80 66.7 13.04 9.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.493 0.663 . . . . 0.0 110.735 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -90.58 94.4 9.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.248 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -150.92 133.58 4.34 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -156.96 -68.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.732 0.301 . . . . 0.0 111.211 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.1 ptm -67.99 -8.17 35.02 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.921 -175.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.807 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -87.51 -8.61 56.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.534 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.2 t70 62.95 177.59 0.15 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.315 0.385 . . . . 0.0 110.202 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 m -65.88 -24.22 66.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.919 -0.488 . . . . 0.0 109.875 175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.36 -67.83 0.34 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.679 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.807 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 48.4 m -76.13 -4.14 39.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -175.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 16.7 tpt -69.15 -39.23 78.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -71.61 -35.6 70.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.933 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 62.3 mt -68.79 -54.37 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.102 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.38 -53.12 61.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 19.4 tp -56.9 -35.7 69.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.196 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.628 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 24.6 t-80 -62.5 -38.22 89.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.54 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -81.99 -43.24 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.589 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.571 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.8 tp60 -61.24 -45.17 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.099 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 4' ' ' PHE . 90.5 t -68.12 -36.32 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.786 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 110' ' ' HIS . 6.3 tpt -66.03 -30.74 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.147 0.499 . . . . 0.0 109.993 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -66.27 -26.11 67.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.162 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -89.92 -9.2 49.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.93 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tt -101.91 -70.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.976 -173.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 114' ' ' MET . 34.9 m -75.0 -19.82 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -170.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.56 0.33 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.084 0.469 . . . . 0.0 111.164 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -83.87 -0.84 52.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.228 176.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.44 19.63 4.96 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.695 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.86 140.81 15.23 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.393 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 124' ' ' LEU . 7.5 tmtm? -100.93 133.95 44.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.495 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -135.16 153.2 78.11 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.106 -177.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -58.03 145.76 90.38 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.375 2.05 . . . . 0.0 111.142 174.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.19 26.67 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 123.48 2.787 . . . . 0.0 114.146 -174.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -99.46 -19.48 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.567 . . . . 0.0 110.015 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 4.5 mp -100.44 152.64 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.587 -177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 128' ' ' ILE . 32.1 ttpt 74.98 109.06 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 124.008 0.817 . . . . 0.0 110.64 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.244 0.79 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.361 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 1.5 tmt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 m 179.18 80.27 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.334 0.654 . . . . 0.0 109.946 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.686 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 16.1 mt -56.65 -40.18 67.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.894 0.378 . . . . 0.0 111.358 -178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' HB3' HG13 ' A' ' 113' ' ' VAL . 19.2 p90 -61.06 -30.66 70.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.465 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.53 -1.58 83.22 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.869 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.686 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 24.5 mtpp -100.5 -43.7 6.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.113 0.482 . . . . 0.0 109.873 178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.725 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 35.9 pt -70.05 -29.75 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.857 -178.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -17.22 63.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.17 -176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 t -67.47 -16.27 64.12 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.916 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -104.32 -46.33 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.904 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.413 HD12 HD11 ' A' ' 117' ' ' LEU . 78.4 mt -58.75 -44.96 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-O 121.176 0.513 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -101.36 17.19 23.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.01 41.2 1.51 Allowed Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.519 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -64.79 119.47 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.292 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.59 11.75 4.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.193 176.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.33 2.72 24.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.561 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.6 44.72 5.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.55 16.89 22.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.179 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -55.86 136.35 72.63 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.239 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.31 116.64 3.2 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.048 2.499 . . . . 0.0 112.411 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.47 -29.72 6.03 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.711 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.46 52.03 4.66 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.329 -178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.91 84.12 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.118 0.485 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -101.03 168.38 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.981 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.72 54.16 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.99 127.29 24.49 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.907 2.404 . . . . 0.0 112.118 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 150.89 21.89 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 -178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.0 m -69.51 122.3 18.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.16 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.5 m -56.74 114.62 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.239 -177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.47 -119.26 0.54 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.178 -177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.71 10.07 29.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 0.0 111.121 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.3 18.02 22.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.52 55.89 1.69 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.205 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.5 p -90.08 88.07 7.13 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . 73.6 133.87 0.04 OUTLIER Pre-proline 0 C--N 1.341 0.236 0 O-C-N 124.171 0.92 . . . . 0.0 111.532 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.8 Cg_exo -68.72 98.04 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.721 2.28 . . . . 0.0 111.76 178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.1 p -70.6 105.92 3.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.12 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -134.46 131.65 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.931 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 6.2 Cg_exo -74.55 112.28 3.51 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 123.265 2.644 . . . . 0.0 111.776 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.529 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 83.1 mm-40 -79.66 -51.42 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 40' ' ' GLN . 20.9 Cg_endo -60.31 98.77 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 C-N-CA 122.225 1.95 . . . . 0.0 113.197 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.7 m -93.33 90.93 6.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.147 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.66 161.66 39.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.845 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.01 91.43 2.44 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.59 -8.15 16.98 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.705 2.27 . . . . 0.0 112.628 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 p -143.61 116.04 8.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.387 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.9 mm -87.79 103.93 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -81.15 110.58 16.78 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.32 -17.19 12.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.51 -58.61 18.11 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.056 -174.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 37.0 Cg_endo -65.09 -32.91 52.13 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.012 1.808 . . . . 0.0 112.265 -178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.04 -51.28 72.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.85 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' ALA . 64.1 mt -83.33 -26.53 30.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.68 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.08 -35.77 79.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 46.2 mmtt -91.21 -22.09 20.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.149 178.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' LEU . . . -64.02 -28.92 70.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.2 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.55 HG13 ' HB2' ' A' ' 64' ' ' LEU . 42.4 t -59.38 -47.11 91.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.622 0.725 . . . . 0.0 109.793 173.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -69.49 -29.59 67.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.59 -23.17 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.946 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.08 -44.37 26.46 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 152.5 -57.98 0.42 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 119.62 -1.276 . . . . 0.0 113.948 172.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -111.03 175.8 5.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.624 0.25 . . . . 0.0 111.554 -170.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.79 119.56 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HB2' HG13 ' A' ' 57' ' ' VAL . 30.3 mt -137.21 170.87 15.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.32 -176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -144.75 83.07 1.69 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.729 0.776 . . . . 0.0 111.826 -176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.566 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 68.7 p-90 -58.95 -18.65 35.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.703 177.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HD3' ' HG3' ' A' ' 127' ' ' GLU . 6.9 ttm180 -69.4 -18.93 63.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.827 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -127.16 -27.85 2.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.909 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.9 m -98.89 112.36 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.898 0.38 . . . . 0.0 110.796 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.3 tp -72.87 -29.08 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.214 0.531 . . . . 0.0 110.472 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 43.9 t -67.23 -30.64 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.422 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.644 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.0 t70 -62.2 -64.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.217 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -57.21 -26.17 60.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.437 . . . . 0.0 111.149 -177.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.456 ' O ' ' HB ' ' A' ' 79' ' ' ILE . 45.1 ttp -62.96 -44.52 95.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.785 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 17.6 ptpt -77.63 -36.65 51.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.59 -178.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.89 -35.45 71.03 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.706 0.629 . . . . 0.0 111.645 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 7' ' ' ILE . 3.7 mm? -72.1 -73.45 0.19 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 178.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -171.22 28.76 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.054 -172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 81' ' ' SER . 40.6 mm -121.39 149.87 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.462 -0.774 . . . . 0.0 111.195 -173.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.46 -35.35 72.02 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.07 0.548 . . . . 0.0 111.906 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 72.1 p 63.68 7.34 3.08 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.438 1.095 . . . . 0.0 112.024 -177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 86' ' ' ARG . 21.1 t -82.91 -171.37 3.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.57 -39.66 67.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 m -53.7 -39.86 65.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.908 0.385 . . . . 0.0 111.35 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.404 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -73.63 -51.69 15.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.161 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -64.08 -22.13 66.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.975 0.417 . . . . 0.0 111.062 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 1.6 tpmt? -72.42 -53.49 12.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.817 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 9.7 pt-20 -71.17 -48.65 50.47 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.35 -0.54 . . . . 0.0 110.624 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 3' ' ' ILE . 51.6 tp -51.56 -42.55 61.92 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.968 0.413 . . . . 0.0 111.758 -175.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.55 -45.07 66.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.668 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.8 pttp -72.3 -30.05 64.43 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.315 -174.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.817 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 3.4 mm-40 -66.42 -38.01 86.47 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.482 HD11 HG22 ' A' ' 113' ' ' VAL . 98.8 mt -79.28 -18.29 52.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.217 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.54 48.79 1.26 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.761 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -69.95 94.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.98 0.419 . . . . 0.0 109.876 175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t -124.16 103.54 8.32 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.24 -163.86 30.42 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.751 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -175.83 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.6 ptp -73.66 -8.41 55.86 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.895 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.708 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -80.16 -19.3 47.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.056 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t70 58.73 -161.82 0.24 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.361 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 m -81.42 -20.26 40.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.983 0.421 . . . . 0.0 110.615 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.98 -62.46 1.62 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.354 -176.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.708 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 m -72.2 -16.66 61.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 -178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 28.5 ttt -63.4 -45.17 92.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.063 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -72.09 -35.85 69.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.934 0.397 . . . . 0.0 110.296 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.87 -53.27 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.11 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.22 -49.2 72.88 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.261 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.92 -38.73 89.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.038 -174.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 43.9 t-80 -64.95 -28.31 69.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.256 -177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -84.37 -45.18 13.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.5 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.56 -46.7 78.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.433 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.482 HG22 HD11 ' A' ' 93' ' ' LEU . 89.2 t -58.49 -40.41 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 110.574 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.777 ' HG2' HG21 ' A' ' 128' ' ' ILE . 7.8 tpt -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.099 -176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.0 m -74.56 -13.12 60.63 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.879 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -97.1 -8.69 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 11' ' ' ILE . 43.3 tp -103.68 -64.21 1.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.221 -175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 114' ' ' MET . 32.2 m -69.15 -18.37 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -65.99 -13.97 60.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.766 0.317 . . . . 0.0 111.322 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -80.76 -1.25 42.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 116.07 19.3 5.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.181 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.89 130.3 10.15 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 121.102 -0.57 . . . . 0.0 112.057 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 132.98 36.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.545 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.62 144.75 52.11 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 -177.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 127' ' ' GLU . 40.7 Cg_endo -67.14 170.07 13.89 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.938 2.425 . . . . 0.0 111.985 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.7 9.5 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.135 2.557 . . . . 0.0 113.409 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HG3' ' HD3' ' A' ' 67' ' ' ARG . 39.2 mm-40 -73.23 -29.38 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.427 0.632 . . . . 0.0 110.289 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.777 HG21 ' HG2' ' A' ' 114' ' ' MET . 2.3 mt -122.97 165.73 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.912 -172.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt 63.52 61.76 1.0 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.307 0.575 . . . . 0.0 110.296 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.243 0.749 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.864 -176.299 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 2' ' ' SER . 24.4 ttt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.616 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 53.6 m 88.65 88.09 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.163 0.985 . . . . 0.0 110.244 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.778 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 19.7 mt -59.27 -33.19 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.639 -176.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.67 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.4 p90 -61.24 -28.99 69.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.015 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.34 -22.27 51.96 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.458 176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.1 mtpp -80.76 -35.84 32.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 110.67 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 pt -79.41 -33.07 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.631 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -68.64 -12.83 61.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.648 0.261 . . . . 0.0 111.016 -177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 t -68.87 -24.97 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.114 0.483 . . . . 0.0 109.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -97.12 -42.54 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.563 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.61 -46.8 95.08 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.54 14.37 28.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.54 56.11 0.59 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.932 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 15' ' ' SER . 8.8 p-10 -82.33 -101.65 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 119.851 -0.119 . . . . 0.0 111.311 -179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.535 ' H ' ' CG ' ' A' ' 14' ' ' ASP . 12.7 t 70.0 -56.79 0.57 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.95 0.9 . . . . 0.0 111.898 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.06 64.39 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.88 0.371 . . . . 0.0 111.284 -175.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.64 14.72 8.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.264 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.31 -12.75 56.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.176 0.512 . . . . 0.0 110.509 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.1 p -76.17 144.68 75.57 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.493 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.94 118.41 5.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.917 2.411 . . . . 0.0 112.601 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.28 -94.01 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.97 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.56 -77.06 0.28 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.593 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 64.64 93.09 0.06 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.136 0.574 . . . . 0.0 111.965 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.04 131.08 51.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.603 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -99.04 130.68 26.87 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.21 -174.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 3.7 Cg_exo -75.23 104.76 1.96 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.955 2.437 . . . . 0.0 110.853 173.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.25 127.15 42.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.747 0.308 . . . . 0.0 110.954 -177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -124.77 148.84 47.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.341 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -78.68 -2.51 39.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 0.0 111.157 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.33 11.22 59.96 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.848 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.7 171.95 18.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.803 0.302 . . . . 0.0 111.232 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 129.95 46.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.509 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.72 121.38 6.35 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.521 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.2 p -94.93 73.65 3.51 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.358 0.599 . . . . 0.0 109.848 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.2 120.78 54.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.466 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -81.42 99.42 1.06 Allowed 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.535 2.157 . . . . 0.0 111.576 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.6 m -85.78 81.31 8.64 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 110.991 -176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -158.08 92.76 2.11 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.659 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -76.88 67.83 7.37 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.263 2.642 . . . . 0.0 112.32 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.729 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 50.1 mt-30 -82.87 -56.47 0.48 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.436 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.729 ' HD3' ' HB2' ' A' ' 40' ' ' GLN . 2.8 Cg_exo -75.89 97.42 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.029 1.819 . . . . 0.0 112.316 -177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -166.87 157.02 11.47 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.576 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.9 -170.94 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.792 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.58 78.04 38.48 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.48 -13.61 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.514 2.143 . . . . 0.0 111.58 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.418 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 44.1 m -154.72 129.97 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.811 177.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.2 mm -87.34 102.55 12.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -75.58 101.29 4.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.886 0.374 . . . . 0.0 110.002 -174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 t -80.28 -20.87 11.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.193 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -55.4 -57.6 19.69 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.37 -176.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.717 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 33.5 Cg_endo -64.69 -38.18 32.7 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 121.592 1.528 . . . . 0.0 111.701 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.8 mt -53.77 -53.33 27.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.7 mt -79.15 -31.15 43.9 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.921 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.35 -46.8 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 0.0 110.432 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.717 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 41.0 mmtt -79.5 -28.85 41.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.443 -177.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.61 83.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.035 0.445 . . . . 0.0 110.19 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG11 ' H ' ' A' ' 64' ' ' LEU . 24.4 t -64.11 -44.18 97.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.659 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -75.3 -11.0 59.97 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.008 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.33 -10.03 34.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -81.77 -50.54 9.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.8 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.41 -63.14 0.2 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.317 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -121.64 -176.94 3.43 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.88 114.62 27.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.25 -176.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 30.3 mt -109.53 163.28 13.59 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.84 -178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -98.92 79.72 2.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.554 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 52.4 p-90 -71.28 -8.2 52.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.382 0.61 . . . . 0.0 110.168 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -75.11 -21.65 58.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.728 -177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -140.34 -30.96 0.65 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.72 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 106' ' ' ASN . 48.9 m -88.6 115.13 25.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.079 0.466 . . . . 0.0 110.698 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.6 tp -76.7 -25.94 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.672 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 74' ' ' MET . 45.4 t -74.36 -33.28 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.961 -178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 16.9 m-20 -80.05 -32.04 39.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.979 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.6 pp -75.39 -31.42 60.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.573 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 38.9 ttm -55.84 -52.73 63.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.765 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 72' ' ' ASP . 15.2 ptpt -68.62 -36.4 78.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.703 -178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.29 80.43 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.599 0.562 . . . . 0.0 111.73 -176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -64.7 -73.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.587 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -178.97 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.365 0.602 . . . . 0.0 110.274 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 44.1 mm -116.44 147.15 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 121.798 -0.564 . . . . 0.0 110.759 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -57.67 -35.17 70.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.963 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.485 ' HA ' ' SD ' ' A' ' 74' ' ' MET . 98.5 p 58.24 14.66 2.93 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.296 1.038 . . . . 0.0 112.611 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.7 t -92.26 -161.5 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -53.59 -48.94 68.76 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.299 0.24 . . . . 0.0 110.76 -176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.7 m -56.62 -34.11 66.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HB1' ' SD ' ' A' ' 74' ' ' MET . . . -74.06 -51.91 14.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.499 -175.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.404 HH11 HG11 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -65.64 -25.98 67.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.168 0.509 . . . . 0.0 110.378 179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.02 -52.59 18.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.893 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -74.88 -43.42 54.51 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.085 -174.534 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 48.1 tp -57.65 -40.84 80.23 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.949 0.405 . . . . 0.0 110.482 -177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' HD1' ' A' ' 95' ' ' TYR . . . -68.89 -42.31 77.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.196 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 20.7 pttp -71.53 -24.5 61.96 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.411 -175.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.76 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 9.6 mm-40 -68.35 -33.25 73.96 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' A' ' 112' ' ' GLN . 93.0 mt -87.96 -44.78 10.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.245 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.23 -47.34 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.071 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.57 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 66.7 t80 72.73 105.5 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.529 0.732 . . . . 0.0 111.769 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 m -152.74 113.93 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.152 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -140.86 116.33 1.12 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.178 -1.01 . . . . 0.0 113.293 -177.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -163.29 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.986 0.422 . . . . 0.0 110.58 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -73.36 -14.09 61.22 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.552 -176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.657 HD22 ' HB2' ' A' ' 105' ' ' MET . 2.4 p-10 -78.46 -17.06 56.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.99 -176.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 t0 57.21 -163.44 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 m -80.38 -19.48 46.22 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.236 0.541 . . . . 0.0 109.983 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.66 -65.73 0.65 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.542 -176.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m -72.76 -22.14 60.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.657 ' HB2' HD22 ' A' ' 100' ' ' ASN . 59.0 ttp -62.53 -42.56 99.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.431 178.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.522 HD21 ' HA ' ' A' ' 69' ' ' SER . 51.1 t30 -68.55 -41.42 79.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.594 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 59.6 mt -73.52 -46.85 47.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.494 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.85 -49.24 78.26 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.796 0.332 . . . . 0.0 111.04 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 tp -62.45 -37.65 86.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.21 -178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.508 ' HA ' HD13 ' A' ' 70' ' ' ILE . 54.0 t-80 -58.57 -48.46 80.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.871 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.24 -42.83 88.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.616 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.02 -41.84 94.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.907 -178.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.67 HG13 ' HB3' ' A' ' 4' ' ' PHE . 86.7 t -65.07 -35.29 75.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.716 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 87.6 mtp -58.41 -38.55 77.63 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.684 0.278 . . . . 0.0 110.688 177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 27.7 t -67.9 -21.57 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.552 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -95.52 -7.84 36.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 20.0 mt -102.06 -72.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.664 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.51 HG11 HD12 ' A' ' 124' ' ' LEU . 34.4 m -67.82 -14.61 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.623 -171.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.68 -16.89 64.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.029 176.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -84.98 5.82 27.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.953 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 114.09 14.6 9.07 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.348 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.53 137.71 20.65 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.172 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 46' ' ' SER . 86.2 tttt -111.42 133.31 53.81 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 122.868 0.467 . . . . 0.0 109.825 178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.51 HD12 HG11 ' A' ' 118' ' ' VAL . 0.0 OUTLIER -135.12 150.01 71.75 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.803 179.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.551 ' HD2' HD13 ' A' ' 128' ' ' ILE . 18.0 Cg_exo -66.84 152.51 80.34 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.651 2.234 . . . . 0.0 110.842 171.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 24.0 Cg_exo -65.17 9.44 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.161 2.574 . . . . 0.0 113.32 -177.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 125' ' ' PRO . 41.8 mt-10 -89.4 -25.44 21.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.371 . . . . 0.0 110.357 178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.551 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.5 mp -96.03 82.6 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 109.947 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -179.5 101.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.319 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.3 m170 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.079 179.465 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.077 0.465 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -88.87 82.01 6.82 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.322 0.582 . . . . 0.0 110.959 -167.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.988 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 6.3 mt -63.29 -31.9 54.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.833 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 23.3 p90 -62.27 -26.76 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.96 174.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.69 -16.57 58.18 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.561 177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.988 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 12.5 mtpp -85.25 -29.24 24.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.656 0.265 . . . . 0.0 110.368 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.418 ' HB ' ' HG ' ' A' ' 77' ' ' LEU . 41.1 pt -82.62 -30.86 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.355 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -67.49 -14.85 63.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.325 -176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -65.08 -31.82 73.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -93.08 -13.68 28.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HD12 HD11 ' A' ' 117' ' ' LEU . 70.7 mt -92.66 -56.13 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.671 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -89.62 13.13 14.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.555 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.0 -13.86 53.5 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.041 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.52 153.06 33.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.167 0.508 . . . . 0.0 110.725 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -155.35 -37.32 0.09 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.768 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -150.49 22.65 0.81 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.99 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.42 -51.12 3.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.993 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.16 -65.49 0.96 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.828 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 m 61.19 97.69 0.04 OUTLIER Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 123.882 0.739 . . . . 0.0 112.074 177.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -41.5 103.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.615 2.876 . . . . 0.0 113.123 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.59 -41.25 1.66 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.676 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.23 135.71 4.51 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.261 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.15 128.73 47.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.775 0.321 . . . . 0.0 110.57 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -96.91 163.45 12.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.644 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.41 149.8 48.37 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.115 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -64.51 100.6 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.354 2.036 . . . . 0.0 112.511 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.45 -178.16 3.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.452 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t 42.15 45.57 3.53 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.186 0.929 . . . . 0.0 111.728 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.3 m -101.14 -4.31 27.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.917 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.25 157.41 20.96 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.269 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 65.69 14.41 9.5 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.117 0.567 . . . . 0.0 111.484 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.9 130.2 46.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.145 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.68 -37.08 61.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.819 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.2 m -131.41 92.64 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.453 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -91.52 131.26 36.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 14.4 Cg_exo -68.77 91.74 0.43 Allowed 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.853 2.368 . . . . 0.0 112.407 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -97.21 95.92 8.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.427 0.632 . . . . 0.0 109.884 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -80.88 118.08 70.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.042 -176.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 16.3 Cg_exo -67.93 129.55 19.87 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.717 2.278 . . . . 0.0 111.506 177.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -116.83 97.59 50.72 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.284 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.04 126.25 7.75 Favored 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 123.01 2.473 . . . . 0.0 111.505 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.2 m -149.45 112.47 4.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.35 160.85 18.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.682 173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.2 84.19 13.04 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-O 121.106 0.479 . . . . 0.0 110.035 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -82.38 3.78 7.56 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.439 2.093 . . . . 0.0 111.948 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.5 t -152.62 141.69 21.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 26.0 mm -108.89 108.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.923 -176.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.41 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 50.6 t0 -75.39 110.19 9.55 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.8 t -80.12 -16.81 12.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.243 -172.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -57.87 -54.64 53.29 Favored Pre-proline 0 CA--C 1.536 0.427 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 79.5 Cg_endo -77.77 12.22 2.01 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.076 1.85 . . . . 0.0 112.489 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.3 mt -105.89 -60.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.193 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 77' ' ' LEU . 5.2 mp -76.18 -42.96 44.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.391 -174.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.14 -22.16 66.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.906 0.384 . . . . 0.0 110.615 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.5 mmpt? -88.76 -45.6 9.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.23 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.64 -28.18 69.43 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.179 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' H ' ' A' ' 64' ' ' LEU . 2.7 t -57.6 -38.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.431 0.634 . . . . 0.0 110.309 177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -67.57 -31.91 72.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.372 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.78 -18.62 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.041 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 76' ' ' ALA . 51.1 tptt -69.7 -35.79 75.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.308 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.24 -35.57 1.34 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.161 -1.019 . . . . 0.0 113.469 173.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -145.0 164.14 32.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.677 0.238 . . . . 0.0 110.393 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -75.45 128.51 35.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.27 0.557 . . . . 0.0 110.708 -177.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' H ' HG11 ' A' ' 57' ' ' VAL . 52.7 mt -126.43 160.3 30.89 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.383 -0.826 . . . . 0.0 108.921 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -120.25 91.62 3.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 0.0 111.054 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.659 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 51.6 p-90 -73.62 -17.62 61.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.376 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' HB2' HG13 ' A' ' 128' ' ' ILE . 13.7 ptp180 -77.81 -8.15 57.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.726 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -130.59 -55.79 1.08 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.7 m -90.18 126.12 35.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.5 tp -77.21 -30.46 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 43.2 t -66.55 -34.98 73.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.424 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.541 ' HA ' ' HE2' ' A' ' 75' ' ' LYS . 2.7 m-20 -59.85 -52.85 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.887 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.659 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.4 pp -68.05 -32.34 72.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.054 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.0 ttp -60.38 -52.5 64.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.1 pttt -70.87 -36.48 72.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.941 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . . . -51.78 -46.75 64.28 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.761 0.663 . . . . 0.0 112.068 -177.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 53' ' ' LEU . 4.1 mm? -65.23 -72.11 0.16 Allowed 'General case' 0 C--O 1.233 0.237 0 C-N-CA 121.169 -0.212 . . . . 0.0 110.993 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 179.3 44.97 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.116 0.484 . . . . 0.0 110.755 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 81' ' ' SER . 47.0 mm -121.72 148.86 24.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.977 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.95 -41.45 59.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.324 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.566 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 90.2 p 57.21 17.24 3.46 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.724 0.81 . . . . 0.0 111.557 -175.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 12.6 t -87.61 -162.78 0.85 Allowed 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.508 HD22 ' HD2' ' A' ' 86' ' ' ARG . 1.5 tm? -67.81 -42.68 81.16 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 p -52.82 -54.93 27.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.578 178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.667 -176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.508 ' HD2' HD22 ' A' ' 83' ' ' LEU . 20.6 ptp180 -66.32 -26.73 67.44 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.777 -176.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' HG3' ' HD3' ' A' ' 91' ' ' LYS . 4.7 tppp? -69.82 -56.79 6.17 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.495 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 14.1 pt-20 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.063 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.579 HD13 ' HB ' ' A' ' 3' ' ' ILE . 48.8 tp -58.26 -48.89 79.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 111.161 -177.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.29 86.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.914 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.561 ' HA ' ' HB2' ' A' ' 95' ' ' TYR . 31.7 mtpt -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.153 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 52.1 mm-40 -67.8 -30.3 69.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.292 0.568 . . . . 0.0 109.791 175.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.56 HD13 ' HB2' ' A' ' 112' ' ' GLN . 40.7 mt -87.15 -45.7 10.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.922 -176.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 169.79 -33.5 0.17 Allowed Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.554 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.5 t80 64.24 24.64 13.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.418 0.627 . . . . 0.0 110.566 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.4 p -87.98 129.4 35.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.442 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.402 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . 154.9 111.91 0.42 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.537 -0.839 . . . . 0.0 112.466 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.22 -64.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.448 . . . . 0.0 110.743 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.6 ptp -77.2 -7.76 56.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.307 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.693 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -90.53 1.75 56.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.5 t70 63.75 -179.19 0.16 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 123.546 0.529 . . . . 0.0 110.647 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m -71.67 -20.03 62.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.27 -64.83 0.7 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.313 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.693 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 15.5 m -76.84 -9.56 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.821 -178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 52.6 ttm -68.86 -42.01 77.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.162 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -67.04 -35.41 79.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.162 0.506 . . . . 0.0 110.053 177.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.558 HG22 ' HE2' ' A' ' 111' ' ' LYS . 58.5 mt -71.95 -50.41 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.281 -178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -58.7 -50.21 74.72 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.48 -36.14 83.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.01 -176.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.553 ' HA ' HD13 ' A' ' 70' ' ' ILE . 33.1 t-80 -59.88 -41.49 91.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 67.2 mttm -65.62 -51.01 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.017 0.437 . . . . 0.0 110.65 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.56 ' HB2' HD13 ' A' ' 93' ' ' LEU . 29.7 mm-40 -57.91 -45.84 85.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.745 -175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 91.7 t -63.94 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.768 -0.197 . . . . 0.0 111.307 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.671 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 54.2 mtm -61.93 -35.81 79.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.479 179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -66.61 -18.49 65.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 112' ' ' GLN . 67.2 mmtt -101.2 -10.33 20.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 11' ' ' ILE . 49.9 tp -108.04 -72.56 0.72 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.419 -173.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 114' ' ' MET . 33.0 m -72.75 -17.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.833 0.349 . . . . 0.0 111.537 -172.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.25 -0.56 19.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.034 0.445 . . . . 0.0 110.913 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.445 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -90.56 -3.88 57.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 178.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -5.39 5.76 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.263 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -67.3 141.54 39.38 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 121.291 -0.48 . . . . 0.0 112.527 177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -115.38 140.42 49.14 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.51 153.45 79.12 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.479 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.495 ' HD2' HD13 ' A' ' 128' ' ' ILE . 31.6 Cg_exo -60.38 157.4 36.05 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.407 2.071 . . . . 0.0 111.267 172.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 27.4 Cg_exo -62.91 2.5 0.76 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 123.148 2.566 . . . . 0.0 113.057 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.1 -31.76 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.721 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.495 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.6 mp -90.36 76.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.746 0.784 . . . . 0.0 110.742 -175.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 129' ' ' LYS . 8.3 mmmm -158.46 91.14 1.06 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.664 173.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.254 -177.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' HD2' ' A' ' 6' ' ' LYS . 5.9 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 14.5 m -120.13 92.92 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.631 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 13.6 mt -59.01 -37.85 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -169.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -63.42 -26.59 68.81 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.032 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.81 -11.79 65.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.685 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.631 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 26.8 mtpp -87.92 -45.69 10.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.813 0.34 . . . . 0.0 110.476 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.9 pt -66.8 -31.63 54.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.337 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -72.2 -16.01 61.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.224 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -66.27 -30.14 70.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.393 . . . . 0.0 110.38 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.3 -44.38 11.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.053 0.454 . . . . 0.0 110.396 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' ILE . 63.9 mt -61.01 -49.81 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.94 -177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.12 14.61 21.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.622 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.29 6.25 32.03 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.0 148.74 32.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.171 0.51 . . . . 0.0 111.251 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m -151.96 24.34 0.66 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.17 173.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.74 -51.48 0.46 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.896 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.25 -25.42 27.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.879 0.371 . . . . 0.0 111.099 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.78 24.67 10.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.092 176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 13.7 p -64.3 135.26 96.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.039 -175.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.471 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 21.3 Cg_exo -64.14 112.93 2.02 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.909 2.406 . . . . 0.0 111.737 172.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.1 175.31 44.78 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.024 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.44 165.24 18.69 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.099 -0.572 . . . . 0.0 111.897 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.96 154.36 51.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -107.54 166.7 10.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.857 0.361 . . . . 0.0 110.154 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.04 138.95 82.12 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.278 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.52 137.61 78.82 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.633 2.222 . . . . 0.0 111.639 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 93.98 0.08 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.109 0.481 . . . . 0.0 111.314 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 t -90.3 128.03 36.32 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.704 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 71.85 -66.25 0.31 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.532 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.94 85.66 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.72 91.31 2.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.44 19.34 9.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.393 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.38 8.68 57.81 Favored Glycine 0 N--CA 1.453 -0.225 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.792 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 m -66.52 -31.97 73.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.051 0.453 . . . . 0.0 110.535 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -97.77 117.74 64.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.45 113.37 2.89 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.594 2.196 . . . . 0.0 111.627 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.2 m -82.01 96.66 7.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.216 0.532 . . . . 0.0 110.286 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.9 107.24 22.32 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.141 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 15.7 Cg_exo -68.34 127.69 16.16 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.919 2.412 . . . . 0.0 111.546 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -101.7 106.13 44.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 39' ' ' PRO . 3.5 Cg_exo -80.43 106.98 1.94 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.704 2.269 . . . . 0.0 110.698 173.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -77.4 -50.04 13.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.71 -178.49 6.89 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.177 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.2 86.92 6.8 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -77.15 -4.81 15.22 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.681 2.254 . . . . 0.0 112.991 -173.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -150.91 144.96 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.0 mm -93.45 105.12 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.56 109.53 11.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.0 t -78.44 -23.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.539 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.35 -56.9 26.74 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 70.2 Cg_endo -74.74 -6.62 18.43 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 121.959 1.773 . . . . 0.0 112.574 -176.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.471 HG21 ' HA ' ' A' ' 11' ' ' ILE . 56.3 mt -91.13 -33.08 5.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.694 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 57' ' ' VAL . 7.2 mp -97.38 -48.81 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.44 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 6.3 t70 -71.98 -34.53 69.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.08 0.467 . . . . 0.0 110.969 -174.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 11.0 mmpt? -82.48 -22.41 35.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.238 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -93.59 -12.51 29.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.11 0.481 . . . . 0.0 110.922 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -66.85 -32.01 56.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.323 0.582 . . . . 0.0 110.018 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -74.97 -15.34 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.233 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.81 21.43 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.009 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 14.0 tmtt? -63.97 -35.91 82.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 173.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.19 16.48 4.33 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.862 172.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.451 ' HG3' HD21 ' A' ' 64' ' ' LEU . 3.6 pt-20 -166.16 130.92 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.611 0.243 . . . . 0.0 110.401 -173.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -78.24 104.29 8.72 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 19.2 mt -103.83 161.15 14.19 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.78 -175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -109.39 75.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.224 0.535 . . . . 0.0 110.438 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 67.8 p-90 -64.59 -19.65 65.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.94 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.766 ' HB2' HG13 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -75.85 -13.3 60.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.665 -176.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -126.44 -44.85 1.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.095 0.474 . . . . 0.0 111.096 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -96.89 127.17 42.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.837 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 110' ' ' HIS . 9.7 tp -78.77 -30.15 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.158 0.504 . . . . 0.0 110.37 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 10.5 p -67.88 -26.14 34.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.481 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.535 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 44.8 m-20 -75.42 -44.65 43.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.098 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.1 pp -70.99 -31.89 68.55 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.994 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.467 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.2 ttp -59.73 -49.32 78.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.439 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 12.5 ptpt -71.94 -35.85 69.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' HG3' ' A' ' 60' ' ' LYS . . . -57.02 -43.67 82.08 Favored 'General case' 0 CA--C 1.52 -0.189 0 O-C-N 123.425 0.453 . . . . 0.0 112.111 -176.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 77' ' ' LEU . 4.1 mm? -69.2 -66.91 0.52 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.146 -177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -164.72 12.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.289 -172.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HG22 ' H ' ' A' ' 81' ' ' SER . 35.6 mm -109.44 145.95 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.74 -169.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.26 -11.07 60.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.722 -174.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 11.3 p 47.91 27.52 1.18 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.589 0.755 . . . . 0.0 112.067 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.1 t -87.06 -164.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.177 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.14 -46.56 83.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 2.1 m -56.06 -43.39 77.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.784 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.17 -55.83 27.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.659 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -66.54 -18.76 65.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.948 0.404 . . . . 0.0 111.021 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -75.66 -59.59 2.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.498 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 91' ' ' LYS . 11.9 pt-20 -72.36 -25.28 61.46 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.624 HD13 ' HB ' ' A' ' 3' ' ' ILE . 23.4 tp -65.72 -53.11 45.21 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.276 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.99 82.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.292 0.568 . . . . 0.0 110.31 177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 38.7 ttpt -59.96 -43.57 94.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.454 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' A' ' 2' ' ' SER . 44.9 mm-40 -77.18 -15.74 59.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.796 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.539 HD22 ' HG3' ' A' ' 112' ' ' GLN . 95.2 mt -87.33 -32.88 19.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.867 0.365 . . . . 0.0 110.527 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 151.9 -48.69 0.55 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.834 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.8 t80 58.96 93.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.301 0.64 . . . . 0.0 112.204 176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.4 t -150.11 126.31 10.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.571 175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 142.29 158.94 7.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.181 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -142.17 -52.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 111.304 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -85.02 3.57 37.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.705 0.288 . . . . 0.0 111.739 -173.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.592 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.7 p-10 -75.61 -20.62 58.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.713 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.1 t70 62.19 -179.96 0.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.719 0.637 . . . . 0.0 111.142 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.2 m -68.91 -19.73 64.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.883 0.373 . . . . 0.0 110.274 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.75 -60.04 4.46 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.04 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.592 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 17.2 m -79.75 -8.51 59.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.0 110.823 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -67.63 -44.58 77.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -65.04 -32.4 74.11 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.282 0.563 . . . . 0.0 110.095 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.44 -57.38 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.248 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.798 ' HE3' HD12 ' A' ' 109' ' ' LEU . 88.6 t90 -61.01 -44.76 96.95 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.939 -174.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.798 HD12 ' HE3' ' A' ' 108' ' ' TRP . 6.3 mp -60.12 -38.35 82.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.692 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.561 ' HA ' HD13 ' A' ' 70' ' ' ILE . 35.3 t-80 -67.87 -24.44 65.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.921 0.391 . . . . 0.0 110.575 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -79.19 -51.64 9.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.493 0.663 . . . . 0.0 110.215 177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.539 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.1 tp-100 -67.22 -46.5 73.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.628 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.23 -36.41 72.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.664 0.269 . . . . 0.0 110.462 177.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.465 ' O ' HG22 ' A' ' 118' ' ' VAL . 10.7 tpt -61.3 -39.46 90.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.103 0.477 . . . . 0.0 110.053 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 m -70.25 -20.69 63.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.973 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -92.38 -15.89 26.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.65 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.43 HD11 HD12 ' A' ' 11' ' ' ILE . 57.4 tp -101.29 -72.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.742 -171.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 114' ' ' MET . 23.4 m -68.7 -16.49 20.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -172.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.6 -7.87 47.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.976 0.417 . . . . 0.0 110.829 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.8 OUTLIER -87.79 1.38 54.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.769 179.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 117.49 18.13 5.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.271 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.15 130.41 9.91 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.569 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -97.31 136.03 38.37 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 123.292 0.637 . . . . 0.0 109.648 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.507 ' O ' HD22 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.73 146.07 57.43 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.46 177.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.516 ' HD2' HD13 ' A' ' 128' ' ' ILE . 38.0 Cg_exo -59.45 154.25 48.86 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.926 2.417 . . . . 0.0 111.649 174.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 15.6 Cg_exo -69.72 37.18 0.24 Allowed 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 123.666 2.91 . . . . 0.0 113.756 -175.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.44 ' CD ' HH22 ' A' ' 67' ' ' ARG . 43.8 mt-10 -123.66 -33.25 3.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.046 0.451 . . . . 0.0 110.412 176.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.766 HG13 ' HB2' ' A' ' 67' ' ' ARG . 3.6 mp -89.38 79.86 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-O 121.208 0.528 . . . . 0.0 110.86 -172.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 128' ' ' ILE . 4.0 tmmm? 177.18 105.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.244 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.716 177.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 2' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -89.19 84.76 6.53 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.392 0.615 . . . . 0.0 110.314 -175.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.625 ' HB ' HD13 ' A' ' 89' ' ' LEU . 7.0 mt -63.34 -34.06 64.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.956 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 92' ' ' GLU . 12.0 p90 -64.5 -21.48 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.747 176.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.43 -18.87 43.71 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.636 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 2' ' ' SER . 5.9 mtpm? -80.8 -38.81 27.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.967 0.413 . . . . 0.0 110.19 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 32.4 pt -67.26 -37.58 79.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.063 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.507 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -80.09 -6.45 57.7 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.078 -178.586 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -63.91 -37.45 87.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB3' HD11 ' A' ' 77' ' ' LEU . . . -92.57 -19.06 22.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD21 ' A' ' 53' ' ' LEU . 80.8 mt -77.68 -52.98 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.38 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 87.2 m-85 -92.98 12.68 23.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.59 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.64 25.64 7.57 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.354 -178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -138.09 131.35 30.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.0 110.103 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.9 t -153.72 27.51 0.49 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 176.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.95 -31.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.484 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.01 -41.4 5.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.98 128.81 35.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.0 m -143.63 98.95 5.28 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.436 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.48 125.82 11.32 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.267 2.645 . . . . 0.0 112.906 178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.69 -56.85 3.41 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.045 176.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.49 2.03 87.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.552 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.53 75.72 6.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.144 0.497 . . . . 0.0 111.133 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -139.59 119.42 13.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.179 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.89 139.62 24.67 Favored Pre-proline 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.37 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.86 121.32 8.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.704 2.269 . . . . 0.0 111.273 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.45 106.43 17.46 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.3 m 68.65 118.71 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 O-C-N 123.675 0.609 . . . . 0.0 112.113 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m 75.35 112.8 0.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.671 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.17 164.78 38.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.32 78.94 9.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.859 0.33 . . . . 0.0 110.907 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 58.71 -87.96 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.724 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.66 22.83 0.72 Allowed Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.4 m -102.44 109.16 20.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.147 0.498 . . . . 0.0 111.089 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . . . -106.25 144.99 30.07 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.004 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 27.8 Cg_exo -61.14 106.5 0.39 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 111.939 178.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -79.93 91.01 5.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.234 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' H ' ' HD2' ' A' ' 39' ' ' PRO . . . -103.93 -55.41 0.1 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.251 177.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.55 ' HD2' ' H ' ' A' ' 38' ' ' ALA . 58.7 Cg_endo -73.37 111.87 3.39 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 121.575 1.517 . . . . 0.0 111.956 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.402 ' HA ' ' HD2' ' A' ' 41' ' ' PRO . 27.4 tp60 -112.29 100.73 50.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.812 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 40' ' ' GLN . 55.6 Cg_endo -71.86 132.96 20.88 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.257 1.972 . . . . 0.0 111.105 174.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -90.99 101.35 14.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.811 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.16 -169.1 0.2 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.427 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.61 82.14 33.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.29 -7.0 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.554 2.169 . . . . 0.0 112.732 -174.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 t -147.47 141.73 26.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.431 HG13 ' CD2' ' A' ' 12' ' ' PHE . 39.7 mm -96.23 107.58 19.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.426 -178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -81.73 104.36 12.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.96 -23.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.412 -172.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.542 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -56.24 -58.91 13.74 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.342 -174.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 88.0 Cg_endo -77.45 9.58 2.82 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.895 1.73 . . . . 0.0 112.809 -178.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG21 ' HA ' ' A' ' 11' ' ' ILE . 58.8 mt -98.36 -55.5 5.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD21 HD11 ' A' ' 11' ' ' ILE . 65.9 mt -76.53 -27.99 56.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.146 -178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.16 -38.79 87.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.287 0.565 . . . . 0.0 110.277 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -84.59 -24.23 29.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.611 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.0 79.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.564 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 53' ' ' LEU . 55.8 t -61.86 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.545 0.688 . . . . 0.0 110.275 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -73.12 -12.5 60.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.822 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.91 -28.78 21.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.37 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -71.98 -34.67 69.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.682 176.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.45 -22.72 30.13 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.262 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HG3' HD21 ' A' ' 64' ' ' LEU . 12.2 pt-20 -100.54 150.09 23.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.33 116.84 15.45 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 58.2 mt -125.8 173.88 8.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.446 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.02 84.54 1.52 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.966 0.889 . . . . 0.0 110.151 171.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.501 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 59.6 p-90 -59.66 -26.75 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.331 -1.304 . . . . 0.0 112.329 -175.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.527 ' HG3' HG23 ' A' ' 68' ' ' THR . 18.6 ptp180 -62.47 -28.73 70.03 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.884 -177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 67' ' ' ARG . 41.0 p -110.84 -45.92 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.32 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 m -95.52 120.13 35.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -172.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.42 HD12 HD21 ' A' ' 73' ' ' LEU . 11.2 tp -73.84 -27.09 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.515 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.8 p -71.16 -28.64 33.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.855 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 40.1 m-20 -68.06 -51.13 50.12 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.434 -176.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -68.33 -27.65 66.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.726 0.298 . . . . 0.0 110.828 -178.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.553 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 48.6 ttp -63.74 -51.59 64.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' ' HB3' ' A' ' 81' ' ' SER . 45.2 pttt -72.85 -43.43 62.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.556 -177.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.08 -33.53 70.93 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.569 0.543 . . . . 0.0 111.909 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -79.51 -61.29 2.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.365 -176.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -157.39 -9.08 0.09 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 30.8 mm -111.27 148.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.093 -165.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.78 -7.43 50.62 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.944 -175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 75' ' ' LYS . 57.8 p 49.9 33.64 6.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.483 0.713 . . . . 0.0 111.673 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.9 p -88.28 -175.61 5.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.406 ' O ' HD13 ' A' ' 83' ' ' LEU . 3.2 tm? -61.51 -40.33 94.23 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -62.05 -35.8 79.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.542 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.32 -52.58 63.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.962 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -62.47 -31.56 72.31 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 110.937 177.359 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.2 -57.25 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.471 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 11.5 pt-20 -75.67 -38.19 58.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.863 -172.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.625 HD13 ' HB ' ' A' ' 3' ' ' ILE . 42.7 tp -61.37 -44.06 97.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.53 89.18 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.138 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.621 ' HG2' ' HA ' ' A' ' 88' ' ' GLU . 62.5 pttt -75.6 -15.65 60.33 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.453 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HB3' ' HE2' ' A' ' 4' ' ' PHE . 22.5 mm-40 -73.25 -27.76 61.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.293 0.568 . . . . 0.0 109.992 172.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 109' ' ' LEU . 81.2 mt -94.96 -37.56 11.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.32 179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.85 -41.17 0.19 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.756 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 54.4 t80 71.11 105.43 0.06 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.518 0.727 . . . . 0.0 111.061 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.3 m -136.58 115.53 12.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.391 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -131.41 53.39 0.81 Allowed Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -92.29 -149.21 0.24 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 20.0 ptp -72.49 0.94 8.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.724 0.297 . . . . 0.0 111.212 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.543 ' HB2' ' HB3' ' A' ' 104' ' ' SER . 3.1 p-10 -67.03 -25.78 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.539 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.6 t70 64.1 173.3 0.18 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.019 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 15.3 m -63.08 -20.99 65.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.084 0.468 . . . . 0.0 110.208 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.96 -53.04 61.64 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.428 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.543 ' HB3' ' HB2' ' A' ' 100' ' ' ASN . 42.3 t -83.36 -18.1 40.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.436 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.561 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 27.9 ttt -67.63 -36.03 80.03 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.311 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -67.63 -37.28 82.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.11 0.481 . . . . 0.0 110.287 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 111' ' ' LYS . 59.7 mt -66.7 -59.14 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.76 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -55.72 -41.74 74.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.857 -178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HD12 ' A' ' 93' ' ' LEU . 13.2 tp -65.29 -43.88 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.202 0.525 . . . . 0.0 110.077 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -67.43 -18.06 64.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.806 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 107' ' ' ILE . 28.4 mmmt -87.32 -49.98 6.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.177 0.513 . . . . 0.0 110.372 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.482 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -77.44 -17.12 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.519 -171.332 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.66 -38.62 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.219 0.533 . . . . 0.0 109.943 170.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.3 mmt -72.44 -25.85 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.665 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.2 p -67.26 -9.95 45.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.044 0.45 . . . . 0.0 110.971 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -106.13 -65.35 1.08 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.507 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 59.0 tp -41.25 -73.22 0.05 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 114.791 -1.095 . . . . 0.0 113.314 -173.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.423 ' HB ' HD12 ' A' ' 124' ' ' LEU . 32.9 m -74.03 -15.74 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.419 -174.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.8 -20.35 61.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.13 -11.56 60.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 123.84 20.28 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.418 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.66 131.71 10.71 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.933 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 124' ' ' LEU . 1.6 tmmm? -84.14 128.93 34.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.536 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.47 146.99 61.59 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.277 177.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.53 172.38 14.51 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.39 2.06 . . . . 0.0 111.031 173.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.01 -0.89 1.38 Allowed 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.06 2.506 . . . . 0.0 112.935 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 128' ' ' ILE . 25.7 mm-40 -63.93 -37.29 86.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.381 0.61 . . . . 0.0 109.98 176.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.51 HD13 ' HB2' ' A' ' 124' ' ' LEU . 4.2 mp -97.73 93.75 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.306 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -84.66 85.57 7.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.568 0.699 . . . . 0.0 109.715 -179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--N 1.312 -1.056 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.254 177.413 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' HE3' ' A' ' 6' ' ' LYS . 57.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.949 0.404 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 16.4 m -90.22 100.51 13.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.088 -173.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.604 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 4.8 mt -73.13 -23.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.916 -172.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.582 ' HB3' HG13 ' A' ' 113' ' ' VAL . 32.2 p90 -64.22 -21.07 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.098 0.475 . . . . 0.0 110.043 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.37 -11.14 56.32 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.843 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.663 ' HE3' ' SD ' ' A' ' 1' ' ' MET . 31.1 mtpt -84.21 -44.2 14.16 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.3 pt -73.99 -28.13 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.85 -176.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -65.18 -17.81 64.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.207 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -58.76 -36.95 75.2 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.558 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 77' ' ' LEU . . . -94.04 -8.71 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.803 0.335 . . . . 0.0 111.503 -176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -99.25 -52.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.0 110.533 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -96.78 4.99 51.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.166 0.507 . . . . 0.0 110.798 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.46 19.01 24.71 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.651 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -97.95 142.89 29.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.186 0.517 . . . . 0.0 111.267 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.5 m -152.77 10.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.969 171.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.15 16.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.77 106.18 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.914 -0.491 . . . . 0.0 111.407 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.39 23.53 9.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -67.3 148.74 98.69 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.66 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 19.0 Cg_endo -58.85 137.7 81.45 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.145 2.563 . . . . 0.0 112.689 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.45 -116.49 5.09 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.806 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.07 54.17 18.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.688 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 109.97 17.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.859 0.361 . . . . 0.0 110.406 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -124.8 101.62 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -70.79 137.08 85.34 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 120.88 0.372 . . . . 0.0 111.445 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 22.5 Cg_exo -65.18 111.88 1.91 Allowed 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.76 2.307 . . . . 0.0 111.418 175.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.48 119.8 25.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.434 -175.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -86.5 164.91 16.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.544 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -69.1 87.12 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.071 0.462 . . . . 0.0 111.895 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.73 86.06 1.4 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.648 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.84 87.43 0.24 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.907 0.384 . . . . 0.0 111.157 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -176.89 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.563 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.87 39.19 1.45 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.859 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 m -86.27 121.69 29.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.968 0.413 . . . . 0.0 111.124 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -138.31 136.25 19.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.942 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.93 94.48 0.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.69 2.26 . . . . 0.0 112.022 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 4.8 t -84.83 56.55 3.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.27 101.12 33.12 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.646 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 37' ' ' THR . 4.5 Cg_exo -74.07 93.57 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.659 2.239 . . . . 0.0 112.065 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 98.3 mt-30 -91.76 127.87 48.35 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 26.7 Cg_exo -62.53 102.39 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.895 2.397 . . . . 0.0 112.769 -176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.3 p -80.52 85.17 5.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.382 0.61 . . . . 0.0 110.594 176.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.18 162.99 30.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.237 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.71 84.61 5.93 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.319 -178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.23 -3.53 12.16 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.706 2.271 . . . . 0.0 111.476 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -153.15 146.58 24.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.961 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.5 mm -87.29 111.85 22.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' HB3' ' HG3' ' A' ' 20' ' ' PRO . 41.0 t0 -79.36 96.33 5.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.909 0.385 . . . . 0.0 110.006 -178.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.12 -26.01 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.341 -172.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -53.94 -57.64 16.93 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 35.3 Cg_endo -65.1 -36.28 38.12 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.827 1.684 . . . . 0.0 112.021 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.2 mt -59.6 -55.72 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.64 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 57' ' ' VAL . 32.5 mt -74.63 -42.83 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.825 -174.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -59.73 -40.81 89.32 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.679 0.276 . . . . 0.0 111.003 -176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.668 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER -75.15 -40.45 59.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.92 178.186 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.51 -26.57 68.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.754 0.311 . . . . 0.0 111.251 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 64' ' ' LEU . 11.1 t -61.69 -47.23 94.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.673 0.749 . . . . 0.0 110.307 177.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -80.5 -17.69 50.82 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.071 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.21 -31.34 30.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.384 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 54.8 tptt -66.01 -49.36 68.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.926 177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.45 -39.05 1.46 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.333 -0.937 . . . . 0.0 113.17 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -89.84 162.85 15.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 -175.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -83.37 74.76 10.03 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 170.316 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' A' ' 76' ' ' ALA . 14.9 mt -72.18 145.3 48.14 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.033 178.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -128.57 88.32 2.72 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.566 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.538 ' HB3' ' HB3' ' A' ' 73' ' ' LEU . 53.5 p-90 -70.59 -14.12 62.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -66.88 -22.89 65.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.508 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -141.91 -32.83 0.51 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.1 m -96.62 121.44 38.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.841 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.513 HD12 HD21 ' A' ' 73' ' ' LEU . 10.6 tp -81.29 -31.57 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.839 -178.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.39 -29.08 37.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 23.6 m-20 -78.88 -40.66 31.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.386 -175.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 66' ' ' TRP . 4.5 pp -69.31 -27.88 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.382 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.509 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 42.0 ttp -62.32 -56.53 17.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HA ' ' H ' ' A' ' 79' ' ' ILE . 18.5 pttp -70.78 -20.56 62.59 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.569 -0.453 . . . . 0.0 111.32 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.76 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -57.61 -52.93 63.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.362 0.414 . . . . 0.0 111.14 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 10' ' ' ALA . 3.7 mm? -69.68 -3.65 16.17 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 85.23 66.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.368 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.509 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 47.2 mm -109.03 156.72 9.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.264 173.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -53.13 -40.74 64.46 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.13 0.269 . . . . 0.0 111.321 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 p 55.85 10.15 0.52 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.138 0.975 . . . . 0.0 113.02 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -86.3 -161.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.14 -42.03 69.08 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.294 0.237 . . . . 0.0 111.067 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.8 t -58.75 -48.02 82.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.406 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.34 -46.32 70.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 111.577 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 mtm-85 -65.04 -33.63 76.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.265 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 23.6 ttmt -70.32 -53.79 15.29 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.566 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 24.6 pt-20 -70.91 -37.08 72.94 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 HD13 ' HB ' ' A' ' 3' ' ' ILE . 46.2 tp -62.84 -47.59 82.73 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 118.352 0.524 . . . . 0.0 110.438 -179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.97 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.123 0.487 . . . . 0.0 110.332 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.4 ttpp -65.65 -44.61 85.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.971 -177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.703 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 56.2 mm-40 -66.38 -29.71 69.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.212 0.53 . . . . 0.0 110.43 -178.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 112' ' ' GLN . 96.0 mt -86.98 -16.22 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.91 -38.3 2.2 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.363 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.9 t80 71.51 109.98 0.06 Allowed 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.276 0.631 . . . . 0.0 111.036 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.0 m -137.79 135.68 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.444 176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . 164.02 124.4 0.71 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.365 -0.921 . . . . 0.0 112.786 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -147.82 -63.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.083 0.468 . . . . 0.0 110.105 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -90.05 -17.72 27.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.073 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.822 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.8 p-10 -83.24 -4.91 58.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.807 -176.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 59.61 -167.09 0.17 Allowed 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.376 0.422 . . . . 0.0 110.171 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.6 m -83.06 -17.56 42.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.015 0.436 . . . . 0.0 109.886 177.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.52 1.79 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.216 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.822 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 23.0 m -74.93 -7.28 53.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ttt -74.94 -29.74 61.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -70.64 -34.13 71.73 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.484 0.659 . . . . 0.0 109.65 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.536 HG22 ' HE2' ' A' ' 111' ' ' LYS . 62.4 mt -71.09 -55.94 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.941 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -55.77 -51.23 68.12 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.873 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 113' ' ' VAL . 27.7 tp -59.85 -43.39 94.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.34 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.701 ' O ' ' HG3' ' A' ' 114' ' ' MET . 39.6 t-80 -55.96 -45.97 78.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.864 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.875 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 46.2 mtmt -72.5 -36.01 68.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.781 -175.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.538 ' HB3' HD13 ' A' ' 93' ' ' LEU . 7.6 tp-100 -67.2 -37.74 84.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.959 0.409 . . . . 0.0 110.011 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 4' ' ' PHE . 82.9 t -67.26 -36.42 76.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 175.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.875 ' HE2' ' HA ' ' A' ' 111' ' ' LYS . 39.9 mtm -60.43 -34.31 73.77 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.569 0.223 . . . . 0.0 111.018 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -64.47 -11.99 39.29 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.084 0.469 . . . . 0.0 111.123 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -106.22 -62.98 1.31 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.6 -69.0 0.12 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.423 -170.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 114' ' ' MET . 29.0 m -69.48 -15.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.38 -175.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.7 -10.54 59.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.52 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -74.19 -2.86 26.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.196 175.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 115.47 23.31 4.48 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.293 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.54 145.12 17.47 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 2.1 tmmt? -106.03 134.35 49.29 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -133.47 151.1 76.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -176.194 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' HD2' HD13 ' A' ' 128' ' ' ILE . 21.2 Cg_exo -67.28 163.93 32.49 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.026 2.484 . . . . 0.0 111.907 174.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.47 27.08 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.17 2.58 . . . . 0.0 113.21 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 125' ' ' PRO . 35.3 mt-10 -105.1 -16.54 14.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.297 0.57 . . . . 0.0 109.864 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.5 HD13 ' HD2' ' A' ' 125' ' ' PRO . 2.7 mp -92.83 87.9 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.726 -174.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 128' ' ' ILE . 24.4 mtpt 173.22 94.86 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.058 1.343 . . . . 0.0 108.525 173.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--O 1.244 0.775 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.029 -171.33 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.6 ttp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 37.9 m -170.78 82.51 0.09 Allowed 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.843 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 9.8 mt -62.46 -36.93 77.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.758 177.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' HB3' HG13 ' A' ' 113' ' ' VAL . 18.7 p90 -62.88 -28.51 70.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.87 -11.37 76.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.806 177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.843 ' HD3' ' HA ' ' A' ' 3' ' ' ILE . 23.2 mtpp -89.19 -38.59 14.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.959 0.409 . . . . 0.0 110.423 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.5 pt -73.17 -36.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -71.82 -14.87 62.1 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.727 0.299 . . . . 0.0 110.65 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -66.41 -22.05 66.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.469 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.56 -42.64 6.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.283 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.66 -49.62 81.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.229 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -99.76 5.49 45.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.01 0.433 . . . . 0.0 110.481 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.86 -15.27 31.75 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.982 -175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -92.82 174.4 7.27 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.094 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 p -156.47 11.65 0.26 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.61 -33.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.22 150.09 21.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.566 0.222 . . . . 0.0 111.19 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB1' ' HA ' ' A' ' 52' ' ' ILE . . . 65.1 18.53 11.5 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.024 174.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -74.87 123.68 89.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.875 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.601 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 72.4 Cg_endo -76.54 154.33 35.33 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.788 2.325 . . . . 0.0 112.463 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.42 -161.41 31.26 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.0 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -118.43 113.38 2.59 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.774 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.67 109.18 21.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.842 0.353 . . . . 0.0 110.527 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.3 149.85 22.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -62.13 131.98 93.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.293 -178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 52.0 Cg_exo -55.9 126.49 22.6 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.875 2.383 . . . . 0.0 112.151 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.9 167.46 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.929 0.395 . . . . 0.0 111.223 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -145.36 156.78 43.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.8 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.7 t -112.68 -20.88 11.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.868 0.366 . . . . 0.0 110.959 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.05 173.89 42.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.097 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 59.29 -167.53 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.042 0.537 . . . . 0.0 111.668 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.47 108.2 20.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.029 0.442 . . . . 0.0 110.37 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.7 78.42 0.25 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.781 -178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -67.34 104.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.323 0.583 . . . . 0.0 110.698 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.52 151.17 40.88 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.061 -175.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.97 133.32 54.98 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.629 2.219 . . . . 0.0 111.566 175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.8 p -79.46 111.47 15.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.163 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -117.2 98.12 51.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.33 108.81 2.79 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.913 2.409 . . . . 0.0 111.273 177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -86.73 118.18 69.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.432 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.32 132.47 33.86 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.728 2.285 . . . . 0.0 112.112 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -80.34 95.45 6.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.559 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.32 167.6 10.08 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.756 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -144.44 84.93 8.94 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.47 -27.39 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.689 2.259 . . . . 0.0 113.028 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 123' ' ' LYS . 41.0 m -153.67 139.91 18.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.854 0.359 . . . . 0.0 110.794 -178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -95.76 97.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' ' HB3' ' A' ' 123' ' ' LYS . 6.1 t0 -79.38 108.54 12.98 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.72 -17.97 12.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.243 0.544 . . . . 0.0 111.074 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HA ' ' CH2' ' A' ' 66' ' ' TRP . . . -62.04 -53.41 59.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -175.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HG3' ' HB3' ' A' ' 20' ' ' PRO . 55.7 Cg_endo -69.72 -29.09 24.61 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.869 1.713 . . . . 0.0 112.154 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.614 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 56.3 mt -62.74 -57.23 12.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.92 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 57' ' ' VAL . 45.8 mt -77.56 -48.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.648 -172.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' HE1' ' A' ' 66' ' ' TRP . 23.8 t70 -54.56 -36.65 64.57 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.245 0.545 . . . . 0.0 111.572 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 35.6 mttm -106.21 1.82 26.39 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.491 -173.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.57 -27.47 19.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 165.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 53' ' ' LEU . 42.9 t -67.74 -39.4 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.881 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG2' ' HA ' ' A' ' 55' ' ' LYS . 18.4 ptmt -75.7 1.74 13.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.319 0.58 . . . . 0.0 110.387 177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.08 -10.62 15.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.601 171.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -76.73 -53.8 7.48 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.32 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.68 -61.23 0.13 Allowed Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.098 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.82 170.76 8.94 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 14.7 tptm -83.11 89.94 7.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.769 0.795 . . . . 0.0 111.013 -178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 72' ' ' ASP . 11.8 mt -78.15 141.43 38.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 168.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -111.05 98.47 7.57 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.739 0.781 . . . . 0.0 110.64 -175.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.552 ' CB ' ' HB3' ' A' ' 73' ' ' LEU . 36.5 p-90 -74.03 -19.0 60.77 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.42 -175.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -64.56 -30.16 71.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.609 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.5 p -111.21 -46.01 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.123 0.487 . . . . 0.0 111.216 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.587 ' HA ' HD21 ' A' ' 106' ' ' ASN . 11.6 m -98.47 119.67 37.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 -171.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.532 HD12 HD21 ' A' ' 73' ' ' LEU . 10.7 tp -75.97 -28.68 19.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.362 0.601 . . . . 0.0 110.081 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.423 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 8.6 p -71.25 -26.28 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.596 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' HB3' ' HB3' ' A' ' 64' ' ' LEU . 37.7 m-20 -71.78 -44.43 64.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.558 -176.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CB ' ' A' ' 66' ' ' TRP . 4.1 pp -72.6 -28.8 63.0 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.236 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.578 ' HG2' ' HB ' ' A' ' 79' ' ' ILE . 58.1 ttp -62.11 -52.02 65.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.502 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 13.8 ptpt -67.43 -37.35 82.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -52.16 52.15 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.61 0.569 . . . . 0.0 111.849 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.17 -63.36 1.22 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -168.46 4.26 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' A' ' 74' ' ' MET . 42.4 mm -93.41 139.48 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.191 -166.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -75.45 -15.07 60.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.127 -169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 79' ' ' ILE . 54.0 p 52.1 25.19 3.08 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.727 0.811 . . . . 0.0 111.648 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.2 t -85.5 -166.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.85 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -46.72 87.91 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.8 m -54.99 -39.23 68.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.982 0.42 . . . . 0.0 111.387 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -69.31 -58.66 3.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.565 -177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -62.05 -28.37 69.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.41 -47.73 54.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.735 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.796 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 6.4 pt-20 -77.01 -47.63 20.14 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.394 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 3' ' ' ILE . 33.7 tp -55.13 -37.92 67.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.718 0.294 . . . . 0.0 111.263 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.34 -46.35 64.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.409 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 88' ' ' GLU . 21.1 pttp -72.72 -29.61 63.5 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -172.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.796 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 2.8 mm-40 -74.39 -35.8 63.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.079 0.466 . . . . 0.0 109.783 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 112' ' ' GLN . 96.0 mt -70.94 -32.54 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.555 177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 144.39 -32.99 1.72 Allowed Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.793 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.5 t80 71.87 108.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.564 0.746 . . . . 0.0 111.596 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -135.79 89.86 2.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -159.08 117.85 0.8 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.439 -175.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -147.65 -69.27 0.24 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.887 0.375 . . . . 0.0 110.995 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -99.66 4.11 45.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.084 0.468 . . . . 0.0 111.053 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 1.073 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.2 p-10 -94.14 -4.75 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.291 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 t70 54.33 -150.1 0.41 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.3 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.2 m -89.06 -19.95 24.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.971 0.415 . . . . 0.0 110.07 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -61.54 2.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.499 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 1.073 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 6.0 m -77.35 -10.67 59.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 0.0 110.572 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 58.7 ttp -68.71 -38.77 80.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.587 HD21 ' HA ' ' A' ' 69' ' ' SER . 56.5 t30 -64.69 -28.57 69.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.492 . . . . 0.0 109.862 177.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 104' ' ' SER . 64.4 mt -77.07 -59.56 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.321 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -59.73 -43.93 94.0 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.989 0.423 . . . . 0.0 111.545 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 70' ' ' ILE . 3.9 tt -70.13 -26.54 63.99 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.179 -176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 106' ' ' ASN . 48.0 t-80 -69.17 -26.28 64.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.176 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 129' ' ' LYS . 17.8 mmmt -74.66 -54.89 6.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.914 177.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 93' ' ' LEU . 7.9 tp-100 -66.31 -39.76 89.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.228 -0.896 . . . . 0.0 112.328 -170.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 ' HB3' ' A' ' 4' ' ' PHE . 79.4 t -60.14 -41.98 88.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.772 0.32 . . . . 0.0 110.96 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.495 ' HA ' ' HB3' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -64.88 -30.4 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.356 -177.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 39.7 m -63.64 -22.83 67.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -105.96 1.07 26.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.808 0.337 . . . . 0.0 110.542 177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 59.6 tp -108.31 -66.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.759 0.314 . . . . 0.0 111.517 -174.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 114' ' ' MET . 34.6 m -78.37 -11.82 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.821 0.343 . . . . 0.0 111.384 -173.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -79.1 3.33 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -92.12 15.14 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.696 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.36 8.61 49.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.6 152.06 45.61 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.517 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 0.9 OUTLIER -100.66 127.42 47.06 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.535 HD13 ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.71 140.21 34.7 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.707 -179.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 124' ' ' LEU . 19.6 Cg_exo -67.57 161.39 43.71 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.592 2.195 . . . . 0.0 111.018 172.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.27 31.39 0.17 Allowed 'Trans proline' 0 N--CA 1.477 0.523 0 C-N-CA 123.25 2.634 . . . . 0.0 113.079 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 125' ' ' PRO . 30.4 mt-10 -119.36 -11.56 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.379 0.609 . . . . 0.0 109.442 177.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.502 ' HB ' HD23 ' A' ' 124' ' ' LEU . 20.9 mm -92.88 138.6 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.725 -172.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 129' ' ' LYS . 4.2 ttpm? 73.2 -42.94 0.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.915 0.76 . . . . 0.0 110.838 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.426 ' H ' ' C ' ' A' ' 128' ' ' ILE . 60.0 t-80 . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.859 0.725 . . . . 0.0 109.53 -175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' O ' ' HB2' ' A' ' 2' ' ' SER . 16.6 ttt . . . . . 0 N--CA 1.483 1.189 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 92' ' ' GLU . 65.3 m 92.8 96.24 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.549 1.14 . . . . 0.0 111.601 171.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.65 HG12 ' HD2' ' A' ' 6' ' ' LYS . 18.5 mt -74.49 -24.43 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.889 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 113' ' ' VAL . 34.6 p90 -64.8 -25.54 67.96 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.474 172.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.35 -18.6 60.25 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.416 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.65 ' HD2' HG12 ' A' ' 3' ' ' ILE . 44.9 mttp -80.05 -49.83 11.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.011 0.434 . . . . 0.0 110.237 176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 pt -68.49 -29.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.979 -175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -66.73 -17.61 64.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.73 0.3 . . . . 0.0 110.733 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.5 t -73.02 -28.21 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.945 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.42 -28.6 18.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.687 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.9 mt -80.14 -57.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -84.31 -9.27 58.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.812 0.339 . . . . 0.0 110.943 -176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.09 -3.66 90.25 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.389 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' OD2' ' HB3' ' A' ' 17' ' ' ALA . 13.0 t70 -98.64 119.79 37.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.66 0.267 . . . . 0.0 110.314 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 m -126.57 -9.27 6.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.145 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.9 41.64 0.02 OUTLIER 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' HB3' ' OD2' ' A' ' 14' ' ' ASP . . . -127.88 -68.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.106 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.66 9.46 39.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.341 . . . . 0.0 110.656 178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -52.31 126.2 36.4 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.406 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG3' ' HG2' ' A' ' 51' ' ' PRO . 22.3 Cg_endo -61.76 104.09 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.658 2.239 . . . . 0.0 112.303 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.96 72.91 0.11 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.045 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 107.27 2.99 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.072 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.83 93.44 8.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.996 0.427 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -90.33 90.07 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.89 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.11 127.17 26.49 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.61 48.57 2.64 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.918 2.412 . . . . 0.0 112.386 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.31 20.53 18.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.758 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -83.82 106.08 15.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.727 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.6 m -75.7 -33.72 60.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.818 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -157.27 -108.65 0.27 Allowed Glycine 0 C--O 1.227 -0.327 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.51 -5.56 48.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.781 0.801 . . . . 0.0 108.974 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.59 164.99 20.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.174 178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.16 87.21 0.1 Allowed Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.4 m -83.83 94.4 8.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.232 0.539 . . . . 0.0 110.251 -177.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.46 120.55 73.22 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.132 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.99 107.39 0.31 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -77.32 92.32 3.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.686 0.755 . . . . 0.0 110.844 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.814 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -93.24 -56.47 0.23 Allowed Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.52 176.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.814 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 32.1 Cg_endo -94.34 102.63 0.13 Allowed 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.424 2.083 . . . . 0.0 111.51 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -129.68 90.98 41.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.777 0.322 . . . . 0.0 110.838 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.11 100.61 1.12 Allowed 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.813 2.342 . . . . 0.0 111.487 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.4 m -100.67 80.86 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.391 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.68 161.05 23.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.379 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.37 87.39 7.07 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.41 -1.17 10.91 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 -177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -153.27 134.7 14.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.821 176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.63 101.7 11.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.508 ' O ' ' HD2' ' A' ' 51' ' ' PRO . 2.9 t0 -76.27 102.39 5.83 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.32 -22.56 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -173.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HD3' ' A' ' 51' ' ' PRO . . . -55.61 -52.25 73.51 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.408 -177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 50' ' ' ALA . 6.0 Cg_exo -72.32 -36.32 5.57 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.624 1.549 . . . . 0.0 111.811 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.12 -38.91 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 57' ' ' VAL . 7.3 mp -89.68 -40.82 12.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.195 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.71 -44.12 97.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 0.0 111.02 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 51.5 mmtt -81.17 -13.06 58.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.349 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.4 -25.08 36.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.035 0.445 . . . . 0.0 109.864 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 64' ' ' LEU . 19.5 t -62.49 -50.98 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.069 178.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -77.63 -6.01 52.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.1 -24.87 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.059 0.457 . . . . 0.0 110.118 175.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -74.03 -55.51 6.04 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.753 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 159.55 -51.47 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.2 -1.0 . . . . 0.0 113.583 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -105.64 172.31 6.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 122.498 -0.413 . . . . 0.0 111.346 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.1 78.69 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.789 0.804 . . . . 0.0 110.197 177.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.715 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 87.6 mt -71.8 161.5 30.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.979 174.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.48 79.5 1.78 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.397 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.716 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 61.6 p-90 -65.04 -15.33 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.419 0.628 . . . . 0.0 110.527 178.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -53.71 -40.31 65.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.509 -179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -129.37 -15.99 4.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.761 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 106' ' ' ASN . 50.4 m -105.11 126.8 52.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 0.0 111.147 -176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.682 ' HB ' ' HA ' ' A' ' 110' ' ' HIS . 10.5 tp -86.92 -36.14 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.134 -177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 74' ' ' MET . 93.4 t -67.07 -27.46 39.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 122.116 0.96 . . . . 0.0 109.323 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.715 ' OD1' ' HB3' ' A' ' 64' ' ' LEU . 13.4 t70 -64.16 -58.82 5.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.138 -178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.716 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 3.9 pp -63.78 -22.05 66.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.578 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 71' ' ' VAL . 44.4 ttp -58.79 -52.68 64.66 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.066 0.46 . . . . 0.0 110.41 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -80.83 -15.11 57.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.414 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.8 99.23 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.386 0.429 . . . . 0.0 111.058 178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 3.8 mm? -66.29 -65.32 0.69 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 176.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 23.6 t0 169.94 74.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.992 0.808 . . . . 0.0 109.667 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 81' ' ' SER . 31.9 mm -135.56 145.57 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.95 -28.57 65.68 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -173.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.556 ' H ' HG22 ' A' ' 79' ' ' ILE . 83.6 p 56.13 26.56 10.34 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.739 0.816 . . . . 0.0 111.763 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.4 t -83.24 -156.4 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 83' ' ' LEU . 1.3 tm? -64.38 -49.35 71.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -55.62 -38.26 69.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 0.0 111.607 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' HA ' HD11 ' A' ' 3' ' ' ILE . . . -70.95 -55.14 9.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.706 -177.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -63.86 -26.97 68.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.108 0.48 . . . . 0.0 110.918 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -74.02 -50.55 19.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.797 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 4.8 pt-20 -69.57 -46.19 66.94 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 120.364 -0.535 . . . . 0.0 110.982 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.54 HD13 ' HB ' ' A' ' 3' ' ' ILE . 58.0 tp -55.5 -44.18 76.32 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.53 76.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.601 -177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.606 ' HE2' ' HA ' ' A' ' 88' ' ' GLU . 65.6 pttt -73.43 -21.21 60.53 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.599 -175.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.797 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 63.2 mm-40 -62.45 -41.54 98.81 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 172.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.4 mt -80.51 -20.94 42.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.498 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 132.63 -15.83 4.88 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.829 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 13.4 t80 61.43 34.74 18.04 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.062 0.458 . . . . 0.0 110.966 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.1 m -75.88 76.4 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.16 0.505 . . . . 0.0 110.66 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.434 ' HA2' ' OD1' ' A' ' 100' ' ' ASN . . . -137.38 119.06 1.81 Allowed Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -151.86 -85.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.617 0.246 . . . . 0.0 111.326 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 ptp -90.06 7.76 36.08 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.139 0.495 . . . . 0.0 111.09 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.907 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 2.5 p-10 -83.36 -18.41 38.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.438 174.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 58.75 -172.4 0.1 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.472 178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -61.64 -30.27 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.234 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.35 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.532 -176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.907 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 64.1 m -77.3 -11.77 59.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.272 -176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.3 ttp -61.05 -47.69 85.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.046 0.45 . . . . 0.0 110.549 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.7 t30 -72.63 -31.54 65.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.661 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.8 mt -75.73 -44.71 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.779 -176.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -70.07 -49.85 46.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.074 0.464 . . . . 0.0 110.946 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 70' ' ' ILE . 3.0 tt -65.34 -27.21 68.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.048 -176.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.682 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.2 t-80 -56.34 -49.76 73.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.378 176.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 57.4 mttp -65.35 -47.33 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.902 -178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -57.41 -47.32 82.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.806 -174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 4' ' ' PHE . 78.2 t -67.85 -39.22 81.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.103 -178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 110' ' ' HIS . 56.2 mtm -63.14 -31.7 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.641 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 m -68.85 -15.26 63.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.054 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -104.15 -18.22 14.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 0.0 110.001 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -103.37 -76.63 0.58 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.309 -170.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.9 -21.22 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.662 0.268 . . . . 0.0 111.598 -172.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.01 -19.31 65.81 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.461 179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.49 HD22 ' N ' ' A' ' 120' ' ' ASN . 0.9 OUTLIER -65.14 -52.45 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.077 0.465 . . . . 0.0 110.241 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 175.34 29.23 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.339 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.54 142.66 16.28 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.205 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.43 ' HB3' ' HA ' ' A' ' 48' ' ' ASP . 27.5 ttmt -100.07 134.81 42.44 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.523 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -132.38 154.24 81.51 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.833 175.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 127' ' ' GLU . 39.5 Cg_exo -61.18 146.89 96.98 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.206 1.937 . . . . 0.0 110.89 173.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 23.7 Cg_exo -64.87 11.35 0.12 Allowed 'Trans proline' 0 N--CA 1.476 0.464 0 C-N-CA 123.177 2.585 . . . . 0.0 112.959 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 125' ' ' PRO . 28.0 mt-10 -91.0 -26.57 19.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.124 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.403 HD12 ' N ' ' A' ' 128' ' ' ILE . 4.5 mp -99.69 107.35 20.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.087 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 129' ' ' LYS . 7.2 mmpt? -138.08 -9.76 1.53 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 46.7 m80 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.64 -0.695 . . . . 0.0 110.949 -173.666 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.663 0.268 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -153.88 99.41 2.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.603 ' HB ' HD13 ' A' ' 89' ' ' LEU . 20.9 mt -56.06 -40.63 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -171.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HB3' HG13 ' A' ' 113' ' ' VAL . 21.6 p90 -61.28 -25.34 67.03 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.078 0.466 . . . . 0.0 111.202 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.97 -20.12 48.02 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.858 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -79.23 -42.88 24.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.068 0.461 . . . . 0.0 109.943 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 45.2 pt -71.67 -35.37 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.387 -177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -21.84 64.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.64 0.257 . . . . 0.0 110.853 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 t -64.74 -30.16 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.242 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.04 -40.94 11.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.16 -49.27 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.568 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -94.48 0.3 55.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 111.03 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.37 20.62 49.75 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.095 -0.574 . . . . 0.0 111.983 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 18' ' ' ALA . 43.5 t0 -71.29 158.15 36.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.39 . . . . 0.0 110.621 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.3 t -178.0 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.274 -177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.5 13.12 10.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.795 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 74.13 70.28 0.11 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.082 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' H ' ' CG ' ' A' ' 14' ' ' ASP . . . -95.55 -27.02 15.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.822 169.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.538 ' HB3' ' HD2' ' A' ' 20' ' ' PRO . 32.4 m -65.09 161.58 46.92 Favored Pre-proline 0 N--CA 1.451 -0.376 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.412 173.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' ' 19' ' ' SER . 18.7 Cg_endo -58.96 100.85 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.692 2.261 . . . . 0.0 112.916 -177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.56 15.35 5.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.964 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.44 179.11 19.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.04 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.86 101.17 4.82 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -98.83 161.17 13.79 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.236 0.541 . . . . 0.0 111.374 -174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 27' ' ' ALA . . . -102.88 159.12 30.29 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.654 174.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.34 34.91 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.866 2.377 . . . . 0.0 112.249 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 25' ' ' ALA . . . -179.27 98.3 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.278 -178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -85.72 27.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.93 0.395 . . . . 0.0 111.564 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.2 m -104.33 102.25 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -105.11 -38.14 2.55 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.8 172.82 14.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.45 133.28 43.65 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.7 -159.85 11.62 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.13 -177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.8 t -138.63 150.56 46.39 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -177.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.33 111.0 64.05 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.894 0.378 . . . . 0.0 111.049 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.74 121.98 3.39 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.094 2.529 . . . . 0.0 110.763 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 t -86.28 103.7 15.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.864 0.84 . . . . 0.0 110.692 -176.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -133.23 109.97 12.68 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.04 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.28 108.99 0.56 Allowed 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.77 2.314 . . . . 0.0 112.541 -177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 78.3 mt-30 -83.13 121.77 77.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.785 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 40' ' ' GLN . 22.5 Cg_exo -64.47 137.3 54.59 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.812 2.341 . . . . 0.0 111.969 -179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -147.22 136.56 22.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.133 0.492 . . . . 0.0 110.721 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.22 169.62 16.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.554 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.37 80.98 15.93 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-O 120.944 0.402 . . . . 0.0 110.221 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -81.15 -13.75 11.14 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.286 1.99 . . . . 0.0 111.952 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 128.45 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' HA2' ' A' ' 122' ' ' GLY . 42.6 mm -87.88 105.23 15.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.74 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -80.62 104.84 11.42 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.67 -19.42 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.391 -172.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' HB2' ' HD3' ' A' ' 125' ' ' PRO . . . -58.39 -60.64 9.61 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.971 -175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 36.2 Cg_endo -64.11 -32.98 63.16 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.88 1.72 . . . . 0.0 112.347 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.62 -44.36 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.3 mp -91.44 -31.27 16.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.5 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HA ' ' HE1' ' A' ' 66' ' ' TRP . 17.0 t70 -62.37 -37.54 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.082 0.468 . . . . 0.0 110.729 -178.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 44.9 mmtt -88.49 -24.35 22.99 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . . . -65.45 -23.23 66.88 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 64' ' ' LEU . 69.1 t -59.23 -43.6 90.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.626 0.727 . . . . 0.0 109.448 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -80.44 -28.7 37.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.279 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.418 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . . . -77.71 -23.77 49.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.171 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -74.66 -58.68 3.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 109.805 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.51 10.26 3.02 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.251 -0.976 . . . . 0.0 113.602 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -141.82 163.95 31.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.267 0.534 . . . . 0.0 110.77 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 111.24 6.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 ' HB2' HG22 ' A' ' 57' ' ' VAL . 97.5 mt -118.18 138.21 52.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.106 0.479 . . . . 0.0 111.221 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -120.29 60.93 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.347 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.779 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 63.5 p-90 -59.74 -19.63 51.43 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.85 -176.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' HG3' HG13 ' A' ' 128' ' ' ILE . 25.7 ttm180 -67.65 -22.24 65.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.766 -177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -127.62 -35.52 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.425 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.1 m -100.3 125.84 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 110.979 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 110' ' ' HIS . 10.2 tp -77.91 -30.11 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.573 -178.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 7.6 p -65.97 -32.15 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.67 -52.07 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.702 -177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.779 ' HB3' ' HB2' ' A' ' 66' ' ' TRP . 4.3 pp -68.4 -30.76 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.921 0.391 . . . . 0.0 110.576 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.458 ' HG3' HG21 ' A' ' 3' ' ' ILE . 57.3 ttp -57.94 -58.2 9.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.571 178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 71' ' ' VAL . 42.7 pttt -66.34 -35.78 81.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.468 ' HB2' HD13 ' A' ' 64' ' ' LEU . . . -47.34 -53.34 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.55 0.531 . . . . 0.0 112.019 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.4 -67.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -152.55 -7.14 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 120.575 -0.45 . . . . 0.0 112.129 -172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.664 HG22 ' H ' ' A' ' 81' ' ' SER . 39.4 mm -89.76 149.26 4.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.395 -166.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -93.32 -2.86 54.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.037 -0.528 . . . . 0.0 112.385 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.664 ' H ' HG22 ' A' ' 79' ' ' ILE . 89.2 p 55.66 16.37 1.92 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.036 0.934 . . . . 0.0 113.003 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 23.2 m -83.87 -179.44 7.28 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.341 -0.224 . . . . 0.0 110.734 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 83' ' ' LEU . 3.4 tm? -48.44 -55.92 9.61 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.515 0.509 . . . . 0.0 111.361 -176.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.843 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 46.9 t -48.74 -49.0 40.21 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.702 0.626 . . . . 0.0 111.406 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.573 ' HA ' ' HG2' ' A' ' 88' ' ' GLU . . . -66.11 -48.23 71.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 82' ' ' SER . 19.7 mtm180 -60.98 -34.09 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.266 -175.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.843 ' HE3' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -87.39 -29.17 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.888 -178.665 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 92' ' ' GLU . 8.7 pt-20 -71.24 -37.37 71.98 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.709 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 113' ' ' VAL . 41.8 tp -69.77 -45.31 68.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.911 0.386 . . . . 0.0 110.666 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.83 -31.39 69.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.658 -176.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 20.6 pttp -71.76 -28.47 63.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.625 0.25 . . . . 0.0 110.872 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 8.4 mm-40 -74.58 -35.8 63.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.107 0.48 . . . . 0.0 110.38 -179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 ' HG3' ' A' ' 112' ' ' GLN . 86.8 mt -84.8 -46.94 10.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.332 -175.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.21 51.04 0.37 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.418 179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -69.7 116.37 10.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.61 21.04 8.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 0.0 111.084 -176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.32 161.51 21.49 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.736 176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -143.37 -64.97 0.39 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.943 0.401 . . . . 0.0 110.999 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -77.7 -0.7 27.8 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.096 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.601 ' HB2' ' HB2' ' A' ' 104' ' ' SER . 3.0 p-10 -79.35 -10.6 59.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.874 0.368 . . . . 0.0 110.361 177.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.51 -166.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.957 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 105' ' ' MET . 49.3 m -73.63 -16.49 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.848 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.1 -65.78 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.318 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 5.7 m -73.02 -23.35 60.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 102' ' ' SER . 15.2 tmm? -62.8 -41.96 99.5 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.452 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.551 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 60.1 t30 -67.36 -27.19 66.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.946 -178.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.48 -52.51 12.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.465 -177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -58.15 -50.81 72.19 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.722 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 70' ' ' ILE . 13.9 tp -64.31 -33.88 76.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.965 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.556 ' HA ' HD13 ' A' ' 70' ' ' ILE . 18.6 t-80 -61.37 -39.8 91.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -76.98 -48.21 18.66 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.582 ' HG3' HD22 ' A' ' 93' ' ' LEU . 8.2 tp-100 -60.07 -44.88 94.44 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.78 -174.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.612 HG21 HD21 ' A' ' 89' ' ' LEU . 96.1 t -62.53 -44.61 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 118' ' ' VAL . 70.8 mtp -71.6 -19.62 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.595 -175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.0 t -65.65 -33.24 75.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.101 0.477 . . . . 0.0 109.714 173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -90.44 -4.38 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.178 0.513 . . . . 0.0 109.674 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 114' ' ' MET . 1.8 tm? -102.19 -66.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.634 -173.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.525 HG11 HD12 ' A' ' 124' ' ' LEU . 20.4 m -73.48 -15.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.08 -4.94 23.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.023 0.44 . . . . 0.0 111.038 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -90.46 13.15 16.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 102.31 18.67 16.16 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.631 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 47' ' ' ILE . . . -92.69 132.66 11.36 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.179 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 124' ' ' LEU . 78.2 tttt -95.77 146.29 24.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.764 0.316 . . . . 0.0 110.365 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.529 ' N ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -134.58 151.02 75.24 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.104 173.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.531 ' HD2' HD13 ' A' ' 128' ' ' ILE . 31.3 Cg_exo -59.66 150.0 79.21 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.087 1.858 . . . . 0.0 110.453 170.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 125' ' ' PRO . 28.0 Cg_exo -62.77 -1.06 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.9 2.4 . . . . 0.0 113.399 -174.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -87.19 -19.32 28.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.997 0.427 . . . . 0.0 110.097 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.531 HD13 ' HD2' ' A' ' 125' ' ' PRO . 3.4 mp -96.89 135.28 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.966 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' C ' ' HD3' ' A' ' 129' ' ' LYS . 12.3 tmtt? 65.95 95.53 0.06 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.716 0.769 . . . . 0.0 110.557 178.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.23 174.797 . . . . . . . . 0 0 . 1 stop_ save_