data_5kwo_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 5kwo _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 N--CA 1.444 -0.731 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.244 0.781 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.507 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 . . . . . 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.444 -0.771 0 CA-C-O 120.648 0.261 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.088 0.47 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.428 -1.535 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 122.072 0.939 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 120.539 0.209 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.612 0.244 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.585 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.013 0.435 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 . . . . . 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.41 -2.44 0 CA-C-O 121.452 0.644 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 . . . . . 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 . . . . . 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.436 -1.167 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.888 0.851 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.436 -1.175 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.437 -1.087 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m . . . . . 0 N--CA 1.433 -1.315 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 . . . . . 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 . . . . . 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.426 0.155 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 . . . . . 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.433 -1.276 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.544 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m . . . . . 0 N--CA 1.427 -1.613 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.249 1.044 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.434 -1.26 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 . . . . . 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 . . . . . 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.239 0.514 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.172 0.51 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 . . . . . 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.47 0.652 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.242 0.663 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -97.19 171.49 8.41 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m -139.08 125.92 20.91 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.926 -0.484 . . . . 0.0 110.434 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -131.9 141.53 49.39 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -97.94 162.28 2.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.57 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -107.69 -15.3 14.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -76.87 103.24 6.71 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -84.6 111.99 20.03 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.8 t -150.82 147.38 27.19 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.749 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 m -109.97 131.43 55.07 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.37 160.82 18.97 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m -122.1 113.03 18.95 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -110.86 128.28 55.73 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -107.65 160.24 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.016 174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.507 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -75.18 -38.69 60.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 41.0 t -78.07 94.77 4.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.12 135.93 33.58 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.62 132.12 16.71 Favored 'General case' 0 C--N 1.27 -2.891 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -75.62 89.29 2.76 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.456 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 13.7 tp10 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 68.8 m . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.5 135.24 53.92 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.883 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m -108.42 111.17 22.93 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -108.76 143.99 37.17 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.81 144.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.323 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -89.33 -47.92 7.71 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.3 t -81.59 98.38 8.3 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 -114.78 139.19 49.92 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.22 152.9 22.9 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -109.26 89.66 3.07 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 N--CA 1.425 -1.684 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -178.832 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.141 0.052 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.09 124.48 20.94 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m -95.52 126.8 41.05 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 25' ' ' THR . 76.0 mtp180 -100.23 127.44 46.51 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m -113.29 161.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 168.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -77.95 -32.7 51.64 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.521 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t -76.41 89.42 3.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.133 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -122.2 127.81 50.44 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.8 m -97.63 134.02 41.39 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 31.8 m -136.87 89.71 2.47 Favored 'General case' 0 N--CA 1.413 -2.322 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 C--N 1.299 -1.624 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.426 -177.135 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -62.21 137.78 58.31 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t -102.56 135.85 43.45 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.7 m -96.35 144.05 11.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.031 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.2 -39.68 19.05 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -90.3 101.16 13.88 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.451 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 -129.51 124.64 34.45 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.6 m -97.66 154.57 17.47 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 m -80.91 97.68 7.53 Favored 'General case' 0 N--CA 1.406 -2.669 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 167.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.825 -171.634 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.48 154.36 40.63 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.866 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m -117.11 136.57 52.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -130.13 130.01 44.24 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m -126.44 150.78 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.635 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -104.12 -60.81 1.53 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t -74.22 91.31 2.14 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -86.25 107.03 17.75 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -97.2 110.33 22.9 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.011 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 m -107.76 117.79 35.05 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.297 -1.714 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -60.4 136.6 58.09 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m -104.65 118.25 36.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -98.36 117.32 32.5 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.86 140.63 48.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.585 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.57 -6.33 22.94 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t -89.8 106.65 18.61 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 -107.55 138.21 44.19 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -124.48 138.49 54.34 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.501 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -88.64 109.07 19.8 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.424 -1.753 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.303 -178.394 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.99 132.87 55.28 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 120.945 0.402 . . . . 0.0 110.494 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m -105.86 101.08 10.61 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.787 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -136.31 102.75 5.07 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.35 172.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.07 -11.22 31.11 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -85.46 106.45 16.82 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -114.08 110.81 20.6 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.0 m -89.21 109.18 20.09 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 m -113.67 95.1 5.16 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.212 -171.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.693 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 55.9 m . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.46 167.27 20.36 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -126.4 110.82 13.75 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -127.58 126.43 42.09 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.24 157.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 172.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.25 -50.85 17.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.466 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.693 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 51.2 t -77.18 89.56 3.66 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.544 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -106.39 144.7 32.69 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 t -147.17 170.5 17.09 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.555 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -88.63 94.16 9.8 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.704 0.402 . . . . 0.0 110.058 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 64.3 m . . . . . 0 C--O 1.24 0.561 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.29 164.79 19.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.679 0.276 . . . . 0.0 111.241 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m -138.04 105.98 5.68 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -116.23 123.48 47.84 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.6 155.1 41.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -89.87 -28.85 18.96 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.403 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.1 t -84.32 107.55 16.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.573 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -98.48 142.07 30.55 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.06 145.86 26.63 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 118.026 0.375 . . . . 0.0 110.884 -173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -94.53 101.45 13.35 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.415 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.436 -1.17 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.692 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -63.87 147.11 52.7 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m -110.63 124.24 51.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -103.47 114.99 29.69 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m -125.04 158.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -95.29 -0.59 52.72 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.49 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -94.48 103.89 15.85 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.499 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -110.59 145.6 37.58 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -136.01 126.97 27.7 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 120.937 0.399 . . . . 0.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -104.98 96.98 6.91 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 125.317 1.447 . . . . 0.0 107.18 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.06 144.48 49.4 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m -107.07 112.39 25.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.754 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 61.8 mtp180 -119.35 159.07 24.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.77 147.26 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.469 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.88 -54.56 3.06 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -82.28 101.51 10.58 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 -116.55 129.63 56.29 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.9 m -91.81 170.62 9.74 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 5' ' ' ARG . 12.0 t -65.15 138.61 58.39 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-O 121.353 0.596 . . . . 0.0 110.493 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.423 -1.792 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.576 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 85.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.53 147.34 45.75 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.981 0.513 . . . . 0.0 110.367 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -123.59 106.39 10.54 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.542 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 61.7 mtm180 -100.36 134.9 42.62 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -119.13 145.68 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -105.07 -74.71 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.5 t -75.55 92.54 2.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -96.21 146.11 24.97 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.2 t -127.49 162.74 25.7 Favored 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 5' ' ' ARG . 30.0 m -102.91 123.34 46.36 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.236 0.381 0 O-C-N 124.788 1.305 . . . . 0.0 111.135 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 120.892 0.377 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -65.01 151.6 45.57 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.688 0.795 . . . . 0.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -119.06 140.96 49.19 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -120.39 116.61 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m -72.5 161.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.146 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.12 -15.17 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t -83.52 97.55 9.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.878 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -115.42 100.29 7.99 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.67 111.88 23.64 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.271 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -105.5 120.21 41.04 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.436 -1.166 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.505 -0.768 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -75.88 130.47 38.57 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.031 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m -99.41 123.79 43.99 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 25' ' ' THR . 65.2 mtm180 -130.81 127.53 38.85 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.01 151.63 8.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -89.14 -46.14 9.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.501 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t -76.47 100.68 5.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.816 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.73 109.72 13.47 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -94.29 132.03 39.3 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 14.2 t -132.88 160.06 38.09 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.172 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -69.81 150.34 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m -117.55 119.39 34.87 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -127.26 124.99 40.14 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.62 159.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -89.34 -31.54 17.75 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.519 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -83.63 97.16 8.93 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -98.39 98.83 10.01 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.57 117.62 32.14 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -101.79 105.76 16.67 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.719 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 C--O 1.234 0.272 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -66.34 125.93 27.19 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m -90.68 125.19 35.59 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -104.65 120.51 41.5 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.74 165.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 170.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.39 -48.69 10.1 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t -82.63 88.34 6.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 -120.08 112.34 19.0 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -142.39 146.91 35.41 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -115.36 128.34 56.01 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.246 0.546 . . . . 0.0 109.528 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -107.34 153.87 22.11 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.976 0.417 . . . . 0.0 111.358 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m -112.18 131.71 55.31 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -112.37 101.48 9.67 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.7 160.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.943 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.68 -25.12 16.86 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . 0.55 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -74.21 92.66 2.24 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.245 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -107.36 110.32 22.28 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.95 167.74 18.5 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.701 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 146.75 54.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 111.286 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.41 128.1 35.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.281 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -96.77 117.78 31.8 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 131.37 53.06 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -104.54 148.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.635 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -81.83 -41.29 21.26 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.3 88.46 7.24 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -138.29 150.33 46.54 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.0 m -119.04 150.64 39.62 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -88.23 97.47 11.03 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.144 0.497 . . . . 0.0 109.703 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.224 179.402 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 56.4 m . . . . . 0 C--O 1.238 0.489 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -111.15 132.07 54.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.464 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m -100.57 109.33 21.41 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.09 110.11 20.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.32 152.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -91.43 -17.17 26.2 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 49.2 t -80.89 92.47 6.14 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -111.51 94.19 4.84 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -103.63 168.84 8.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -106.02 97.01 6.88 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-O 122.321 1.058 . . . . 0.0 109.975 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 N--CA 1.419 -2.02 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.145 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 N--CA 1.444 -0.731 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.244 0.781 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 . . . . . 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.444 -0.771 0 CA-C-O 120.648 0.261 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.088 0.47 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.428 -1.535 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 122.072 0.939 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.415 ' HB3' HG11 ' A' ' 7' ' ' VAL . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 4' ' ' TRP . 18.7 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 120.539 0.209 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.612 0.244 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.597 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.013 0.435 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 . . . . . 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.41 -2.44 0 CA-C-O 121.452 0.644 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 . . . . . 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 . . . . . 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.436 -1.167 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.888 0.851 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.436 -1.175 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.437 -1.087 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m . . . . . 0 N--CA 1.433 -1.315 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 . . . . . 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 . . . . . 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.426 0.155 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 . . . . . 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.433 -1.276 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.551 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m . . . . . 0 N--CA 1.427 -1.613 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.249 1.044 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.434 -1.26 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 . . . . . 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 . . . . . 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.239 0.514 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.172 0.51 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 . . . . . 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 22' ' ' VAL . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.47 0.652 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' LYS . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.242 0.663 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 71.1 m . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' VAL . 13.1 mm100 -97.19 171.49 8.41 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m -139.08 125.92 20.91 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.926 -0.484 . . . . 0.0 110.434 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -131.9 141.53 49.39 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -97.94 162.28 2.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -107.69 -15.3 14.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 52.6 t -76.87 103.24 6.71 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 2' ' ' GLN . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -84.6 111.99 20.03 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.8 t -150.82 147.38 27.19 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.749 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 m -109.97 131.43 55.07 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.721 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.37 160.82 18.97 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m -122.1 113.03 18.95 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -110.86 128.28 55.73 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -107.65 160.24 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.016 174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -75.18 -38.69 60.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 41.0 t -78.07 94.77 4.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.12 135.93 33.58 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.62 132.12 16.71 Favored 'General case' 0 C--N 1.27 -2.891 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -75.62 89.29 2.76 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.456 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 13.7 tp10 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 68.8 m . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.5 135.24 53.92 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.883 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m -108.42 111.17 22.93 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -108.76 143.99 37.17 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.81 144.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.323 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -89.33 -47.92 7.71 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.3 t -81.59 98.38 8.3 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 -114.78 139.19 49.92 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.22 152.9 22.9 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -109.26 89.66 3.07 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 N--CA 1.425 -1.684 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -178.832 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.141 0.052 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.09 124.48 20.94 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m -95.52 126.8 41.05 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG2' ' HB ' ' A' ' 25' ' ' THR . 76.0 mtp180 -100.23 127.44 46.51 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DAR . . . . . 0.437 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m -113.29 161.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 168.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -77.95 -32.7 51.64 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.531 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t -76.41 89.42 3.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.133 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -122.2 127.81 50.44 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.8 m -97.63 134.02 41.39 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 5' ' ' ARG . 31.8 m -136.87 89.71 2.47 Favored 'General case' 0 N--CA 1.413 -2.322 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HA ' ' HB3' ' A' ' 6' ' ' DAR . 38.8 mt-10 . . . . . 0 C--N 1.299 -1.624 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.426 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -62.21 137.78 58.31 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t -102.56 135.85 43.45 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' HB3' HG11 ' A' ' 7' ' ' VAL . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 4' ' ' TRP . 18.7 m -96.35 144.05 11.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.031 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.2 -39.68 19.05 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -90.3 101.16 13.88 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.451 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 -129.51 124.64 34.45 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.6 m -97.66 154.57 17.47 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 m -80.91 97.68 7.53 Favored 'General case' 0 N--CA 1.406 -2.669 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 167.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.825 -171.634 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.48 154.36 40.63 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.866 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m -117.11 136.57 52.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -130.13 130.01 44.24 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m -126.44 150.78 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.635 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -104.12 -60.81 1.53 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t -74.22 91.31 2.14 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -86.25 107.03 17.75 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -97.2 110.33 22.9 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.011 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 m -107.76 117.79 35.05 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.297 -1.714 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -60.4 136.6 58.09 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m -104.65 118.25 36.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -98.36 117.32 32.5 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DAR . . . . . 0.404 ' H ' ' HB ' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.86 140.63 48.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.597 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.57 -6.33 22.94 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t -89.8 106.65 18.61 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 -107.55 138.21 44.19 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -124.48 138.49 54.34 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.501 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' H ' ' A' ' 6' ' ' DAR . 27.2 m -88.64 109.07 19.8 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.424 -1.753 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.303 -178.394 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.99 132.87 55.28 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 120.945 0.402 . . . . 0.0 110.494 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m -105.86 101.08 10.61 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.787 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -136.31 102.75 5.07 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.35 172.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.07 -11.22 31.11 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -85.46 106.45 16.82 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -114.08 110.81 20.6 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.0 m -89.21 109.18 20.09 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 m -113.67 95.1 5.16 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.212 -171.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 55.9 m . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.46 167.27 20.36 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -126.4 110.82 13.75 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -127.58 126.43 42.09 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.24 157.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 172.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.25 -50.85 17.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.696 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 51.2 t -77.18 89.56 3.66 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.544 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -106.39 144.7 32.69 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 t -147.17 170.5 17.09 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.555 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -88.63 94.16 9.8 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.704 0.402 . . . . 0.0 110.058 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.705 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 64.3 m . . . . . 0 C--O 1.24 0.561 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.29 164.79 19.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.679 0.276 . . . . 0.0 111.241 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m -138.04 105.98 5.68 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -116.23 123.48 47.84 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.6 155.1 41.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -89.87 -28.85 18.96 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.1 t -84.32 107.55 16.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.573 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -98.48 142.07 30.55 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.06 145.86 26.63 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 118.026 0.375 . . . . 0.0 110.884 -173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -94.53 101.45 13.35 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.415 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.436 -1.17 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.692 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -63.87 147.11 52.7 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m -110.63 124.24 51.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -103.47 114.99 29.69 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m -125.04 158.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -95.29 -0.59 52.72 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.499 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -94.48 103.89 15.85 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.499 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -110.59 145.6 37.58 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -136.01 126.97 27.7 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 120.937 0.399 . . . . 0.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -104.98 96.98 6.91 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 125.317 1.447 . . . . 0.0 107.18 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.06 144.48 49.4 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m -107.07 112.39 25.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.754 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 61.8 mtp180 -119.35 159.07 24.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.77 147.26 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.469 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.88 -54.56 3.06 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -82.28 101.51 10.58 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 -116.55 129.63 56.29 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.9 m -91.81 170.62 9.74 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 5' ' ' ARG . 12.0 t -65.15 138.61 58.39 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-O 121.353 0.596 . . . . 0.0 110.493 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.423 -1.792 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.576 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 85.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.53 147.34 45.75 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.981 0.513 . . . . 0.0 110.367 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -123.59 106.39 10.54 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.559 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 61.7 mtm180 -100.36 134.9 42.62 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -119.13 145.68 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -105.07 -74.71 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.5 t -75.55 92.54 2.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -96.21 146.11 24.97 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.2 t -127.49 162.74 25.7 Favored 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 5' ' ' ARG . 30.0 m -102.91 123.34 46.36 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.236 0.381 0 O-C-N 124.788 1.305 . . . . 0.0 111.135 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 120.892 0.377 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -65.01 151.6 45.57 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.688 0.795 . . . . 0.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -119.06 140.96 49.19 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -120.39 116.61 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m -72.5 161.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.146 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.12 -15.17 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t -83.52 97.55 9.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.878 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -115.42 100.29 7.99 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.67 111.88 23.64 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.271 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -105.5 120.21 41.04 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.436 -1.166 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.505 -0.768 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -75.88 130.47 38.57 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.031 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m -99.41 123.79 43.99 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' THR . 65.2 mtm180 -130.81 127.53 38.85 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.01 151.63 8.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -89.14 -46.14 9.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.513 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t -76.47 100.68 5.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.816 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.73 109.72 13.47 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -94.29 132.03 39.3 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 14.2 t -132.88 160.06 38.09 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.172 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -69.81 150.34 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m -117.55 119.39 34.87 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -127.26 124.99 40.14 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.62 159.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -89.34 -31.54 17.75 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -83.63 97.16 8.93 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -98.39 98.83 10.01 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.57 117.62 32.14 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -101.79 105.76 16.67 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.719 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 C--O 1.234 0.272 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -66.34 125.93 27.19 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m -90.68 125.19 35.59 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -104.65 120.51 41.5 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.74 165.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 170.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.39 -48.69 10.1 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t -82.63 88.34 6.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 -120.08 112.34 19.0 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -142.39 146.91 35.41 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -115.36 128.34 56.01 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.246 0.546 . . . . 0.0 109.528 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -107.34 153.87 22.11 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.976 0.417 . . . . 0.0 111.358 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m -112.18 131.71 55.31 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -112.37 101.48 9.67 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.7 160.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.943 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.68 -25.12 16.86 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' DSG . . . . . 0.547 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -74.21 92.66 2.24 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.245 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -107.36 110.32 22.28 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.95 167.74 18.5 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.701 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 146.75 54.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 111.286 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.853 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.41 128.1 35.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.281 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -96.77 117.78 31.8 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 131.37 53.06 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -104.54 148.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.635 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 22' ' ' VAL . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -81.83 -41.29 21.26 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.3 88.46 7.24 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' LYS . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -138.29 150.33 46.54 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.0 m -119.04 150.64 39.62 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -88.23 97.47 11.03 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.144 0.497 . . . . 0.0 109.703 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.224 179.402 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 56.4 m . . . . . 0 C--O 1.238 0.489 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -111.15 132.07 54.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.464 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m -100.57 109.33 21.41 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.09 110.11 20.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.32 152.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -91.43 -17.17 26.2 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 49.2 t -80.89 92.47 6.14 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -111.51 94.19 4.84 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -103.63 168.84 8.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -106.02 97.01 6.88 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-O 122.321 1.058 . . . . 0.0 109.975 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 N--CA 1.419 -2.02 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.145 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 N--CA 1.444 -0.731 0 CA-C-O 120.73 0.3 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.439 -0.978 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.244 0.781 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 . . . . . 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 . . . . . 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.445 -0.698 0 CA-C-O 121.02 0.438 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 . . . . . 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.444 -0.771 0 CA-C-O 120.648 0.261 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.3 t . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.088 0.47 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 . . . . . 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.428 -1.535 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 122.072 0.939 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 . . . . . 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t . . . . . 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.415 ' HB3' HG11 ' A' ' 7' ' ' VAL . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 4' ' ' TRP . 18.7 m . . . . . 0 C--O 1.245 0.858 0 CA-C-O 120.539 0.209 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.437 -1.105 0 CA-C-O 120.612 0.244 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 . . . . . 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.597 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 . . . . . 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 N--CA 1.441 -0.91 0 CA-C-O 121.013 0.435 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 . . . . . 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m . . . . . 0 N--CA 1.41 -2.44 0 CA-C-O 121.452 0.644 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.224 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.437 -1.094 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 . . . . . 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.43 -1.458 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 . . . . . 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.436 -1.167 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 121.888 0.851 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 . . . . . 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.436 -1.175 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.438 -1.029 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.437 -1.087 0 CA-C-O 120.97 0.414 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.431 -1.375 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.445 -0.715 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 . . . . . 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m . . . . . 0 N--CA 1.433 -1.315 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 . . . . . 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.432 -1.344 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.242 0.66 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 . . . . . 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 . . . . . 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.241 0.647 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.427 -1.576 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 . . . . . 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--O 1.235 0.307 0 CA-C-O 120.426 0.155 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 . . . . . 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.433 -1.276 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.551 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.433 -1.279 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 . . . . . 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 N--CA 1.44 -0.956 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 . . . . . 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m . . . . . 0 N--CA 1.427 -1.613 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 . . . . . 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.249 1.044 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.434 -1.26 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 . . . . . 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 . . . . . 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.239 0.514 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.172 0.51 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 . . . . . 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 22' ' ' VAL . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.438 -1.035 0 CA-C-O 121.47 0.652 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' LYS . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 . . . . . 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 C--O 1.242 0.663 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.2 t . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 71.1 m . . . . . 0 N--CA 1.442 -0.828 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' VAL . 13.1 mm100 -97.19 171.49 8.41 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.0 m -139.08 125.92 20.91 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.926 -0.484 . . . . 0.0 110.434 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -121.11 131.92 54.55 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -131.9 141.53 49.39 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 120.789 0.328 . . . . 0.0 110.542 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -97.94 162.28 2.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -80.89 149.36 66.94 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 123.173 0.296 . . . . 0.0 110.354 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 81.2 Cg_exo -46.88 -53.61 6.01 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 124.087 3.191 . . . . 0.0 114.946 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 1.6 mp0 -64.29 -39.46 93.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 119.943 -0.703 . . . . 0.0 112.584 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 tp10 -55.77 -48.83 74.62 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 51.1 t -59.55 -42.13 91.66 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 113.82 -1.537 . . . . 0.0 111.086 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 11.9 mmt180 -59.5 -41.61 90.25 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.161 0.584 . . . . 0.0 110.845 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 66.0 mttm -63.74 -41.42 98.03 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.469 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -62.98 -38.82 92.67 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.877 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 62.0 mttm -60.22 -57.06 14.44 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -61.11 -37.32 82.35 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.214 -175.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.44 -35.88 34.41 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -107.69 -15.3 14.61 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 52.6 t -76.87 103.24 6.71 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 120.994 0.426 . . . . 0.0 111.308 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 2' ' ' GLN . 25.9 m -137.66 132.56 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-O 120.907 0.385 . . . . 0.0 110.06 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -84.6 111.99 20.03 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 40.8 t -150.82 147.38 27.19 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.749 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.3 m -109.97 131.43 55.07 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 . . . . . 0 C--O 1.244 0.785 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.721 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.449 -0.5 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.37 160.82 18.97 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.6 m -122.1 113.03 18.95 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -99.75 111.85 24.14 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.508 -0.769 . . . . 0.0 108.929 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -110.86 128.28 55.73 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.4 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.5 m -107.65 160.24 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.678 0 CA-C-N 114.759 -1.11 . . . . 0.0 108.016 174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -63.29 138.13 97.26 Favored Pre-proline 0 C--N 1.304 -1.39 0 O-C-N 123.718 0.636 . . . . 0.0 110.224 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_exo -48.27 -48.58 16.46 Favored 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 123.996 3.131 . . . . 0.0 114.33 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 31.3 tt0 -65.9 -44.82 84.12 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -53.89 -45.56 71.11 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.225 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 t -55.53 -47.84 75.63 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.075 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -63.19 -41.81 99.24 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.503 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 27.6 mtpp -57.05 -40.93 77.75 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.322 0.389 . . . . 0.0 110.494 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -66.11 -48.17 71.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.369 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 96.6 mttt -62.97 -42.75 99.92 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.319 0.581 . . . . 0.0 111.402 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.53 -31.84 47.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.149 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -85.82 -54.52 4.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.899 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -75.18 -38.69 60.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -173.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 41.0 t -78.07 94.77 4.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.561 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.7 142.26 26.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -92.12 135.93 33.58 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 175.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.8 t -148.62 132.12 16.71 Favored 'General case' 0 C--N 1.27 -2.891 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -75.62 89.29 2.76 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.456 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HB3' ' SG ' ' A' ' 12' ' ' CYS . 13.7 tp10 . . . . . 0 C--N 1.319 -0.742 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 177.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 68.8 m . . . . . 0 N--CA 1.445 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.5 135.24 53.92 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.883 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.6 m -108.42 111.17 22.93 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -92.49 115.74 28.37 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.834 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -108.76 143.99 37.17 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.984 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.4 m -99.81 144.01 12.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.323 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -66.8 149.91 98.03 Favored Pre-proline 0 C--N 1.31 -1.129 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.131 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.75 -35.96 94.3 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.946 2.43 . . . . 0.0 112.422 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.09 -51.39 54.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.631 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 40.7 mm-40 -60.34 -40.4 90.53 Favored 'General case' 0 C--O 1.209 -1.03 0 O-C-N 123.353 0.408 . . . . 0.0 110.529 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 43.5 t -58.21 -52.53 65.2 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.018 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -55.15 -41.83 72.31 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.267 0.556 . . . . 0.0 109.914 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 81.0 tttt -58.42 -55.25 37.39 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 125.065 1.346 . . . . 0.0 111.141 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -64.33 -36.76 85.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 110.686 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HA ' ' CG2' ' A' ' 22' ' ' VAL . 30.8 mtpp -63.7 -46.32 86.02 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.277 178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.83 -28.37 64.56 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 123.215 0.322 . . . . 0.0 111.64 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.9 -53.25 10.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.452 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -89.33 -47.92 7.71 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 -174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.3 t -81.59 98.38 8.3 Favored 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 16' ' ' LYS . 13.6 m -147.59 138.12 17.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 172.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 29.7 tpt180 -114.78 139.19 49.92 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -175.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.5 m -106.22 152.9 22.9 Favored 'General case' 0 C--N 1.293 -1.869 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.1 m -109.26 89.66 3.07 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 N--CA 1.425 -1.684 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -178.832 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 111.141 0.052 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.09 124.48 20.94 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.1 m -95.52 126.8 41.05 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -114.25 113.4 24.57 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG2' ' HB ' ' A' ' 25' ' ' THR . 76.0 mtp180 -100.23 127.44 46.51 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . 0.437 ' HB3' ' HA ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.4 m -113.29 161.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.973 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 168.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.5 p -79.43 157.72 74.75 Favored Pre-proline 0 C--N 1.302 -1.46 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.0 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -49.67 -45.35 31.92 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 123.409 2.739 . . . . 0.0 113.586 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -72.11 -31.43 66.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -66.12 -45.75 80.01 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.78 -48.78 72.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.444 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -54.21 -53.0 59.46 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.91 -38.59 88.97 Favored 'General case' 0 C--O 1.199 -1.581 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.575 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -66.4 -42.97 87.09 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.471 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 30.2 mtpp -71.84 -18.18 62.09 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.464 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.31 -31.43 11.35 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.34 -59.8 2.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -77.95 -32.7 51.64 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 121.421 0.629 . . . . 0.0 110.756 -173.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.531 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.9 t -76.41 89.42 3.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.133 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.7 m -140.91 160.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -122.2 127.81 50.44 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.8 m -97.63 134.02 41.39 Favored 'General case' 0 C--N 1.288 -2.077 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 5' ' ' ARG . 31.8 m -136.87 89.71 2.47 Favored 'General case' 0 N--CA 1.413 -2.322 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HA ' ' HB3' ' A' ' 6' ' ' DAR . 38.8 mt-10 . . . . . 0 C--N 1.299 -1.624 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.426 -177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -62.21 137.78 58.31 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 15.3 t -102.56 135.85 43.45 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' HB3' HG11 ' A' ' 7' ' ' VAL . 75.6 m95 -120.88 109.77 15.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.582 0.229 . . . . 0.0 111.149 -177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -95.98 144.84 25.93 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.43 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 4' ' ' TRP . 18.7 m -96.35 144.05 11.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.031 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -70.5 146.33 93.86 Favored Pre-proline 0 C--N 1.306 -1.285 0 O-C-N 123.964 0.79 . . . . 0.0 109.708 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.13 -49.75 9.66 Favored 'Trans proline' 0 C--N 1.36 1.14 0 C-N-CA 123.877 3.052 . . . . 0.0 113.643 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -59.65 -54.15 49.73 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 123.19 0.307 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 5.6 mp0 -54.53 -46.25 73.52 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 123.325 0.39 . . . . 0.0 111.755 176.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 42.3 t -58.04 -48.78 79.05 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.448 0.468 . . . . 0.0 111.794 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -65.25 -37.36 86.99 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 32.3 ttpt -63.74 -44.91 92.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.063 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -61.39 -44.95 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.884 -0.414 . . . . 0.0 109.884 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 94.6 mttt -61.1 -39.65 90.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.003 0.43 . . . . 0.0 110.875 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.27 -50.86 64.12 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 123.774 0.83 . . . . 0.0 111.697 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 32.4 mt-10 -81.73 -42.59 19.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -84.2 -39.68 19.05 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -172.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -90.3 101.16 13.88 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.451 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.9 m -146.03 151.82 14.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 3' ' ' THR . 31.8 ttm180 -129.51 124.64 34.45 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.186 0.517 . . . . 0.0 111.203 -176.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.6 m -97.66 154.57 17.47 Favored 'General case' 0 C--N 1.287 -2.138 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.9 m -80.91 97.68 7.53 Favored 'General case' 0 N--CA 1.406 -2.669 0 N-CA-C 104.335 -2.469 . . . . 0.0 104.335 167.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 . . . . . 0 C--N 1.318 -0.776 0 CA-C-N 114.367 -1.288 . . . . 0.0 111.825 -171.634 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -124.48 154.36 40.63 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.866 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m -117.11 136.57 52.91 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.73 129.19 52.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -130.13 130.01 44.24 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.7 m -126.44 150.78 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.014 0 CA-C-N 114.956 -1.02 . . . . 0.0 108.635 176.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -81.43 155.45 71.57 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.99 -41.8 55.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 123.05 2.5 . . . . 0.0 112.877 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.12 -44.0 95.22 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.638 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -68.1 -41.56 81.61 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.376 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.8 t -55.62 -52.41 63.89 Favored 'General case' 0 C--O 1.257 1.481 0 C-N-CA 123.753 0.821 . . . . 0.0 110.454 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -68.23 -36.67 79.85 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.876 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.08 -48.81 75.38 Favored 'General case' 0 C--O 1.212 -0.895 0 O-C-N 123.216 0.323 . . . . 0.0 110.961 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -64.2 -37.63 88.15 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.29 -0.164 . . . . 0.0 111.063 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.01 -47.18 84.19 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.079 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -64.58 -45.49 86.79 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 122.729 0.412 . . . . 0.0 111.1 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.65 -48.26 69.93 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.985 -175.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -104.12 -60.81 1.53 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.4 t -74.22 91.31 2.14 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-O 121.307 0.575 . . . . 0.0 110.808 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -142.13 126.51 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.442 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -86.25 107.03 17.75 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.3 t -97.2 110.33 22.9 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.011 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 m -107.76 117.79 35.05 Favored 'General case' 0 N--CA 1.418 -2.068 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.297 -1.714 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -60.4 136.6 58.09 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 57.4 m -104.65 118.25 36.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.435 0.636 . . . . 0.0 110.305 177.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -99.63 109.69 22.17 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -98.36 117.32 32.5 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . 0.404 ' H ' ' HB ' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.4 m -130.86 140.63 48.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.849 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 p -72.56 161.0 81.38 Favored Pre-proline 0 C--N 1.307 -1.273 0 O-C-N 123.31 0.381 . . . . 0.0 110.6 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo -45.21 -45.62 14.64 Favored 'Trans proline' 0 C--N 1.365 1.44 0 C-N-CA 123.727 2.951 . . . . 0.0 114.178 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.28 -36.75 77.4 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.155 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.02 -50.46 71.96 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.597 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 53.3 t -56.92 -46.7 81.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -60.22 -43.83 95.69 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -72.45 -31.14 65.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.497 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -67.6 -34.58 77.29 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.695 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 98.6 mttt -68.37 -42.46 79.11 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.12 -41.45 71.69 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 124.027 0.931 . . . . 0.0 110.194 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -80.7 -55.56 4.75 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.883 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -102.57 -6.33 22.94 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.3 t -89.8 106.65 18.61 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.511 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.31 149.21 24.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' THR . 76.5 ttt180 -107.55 138.21 44.19 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 -177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -124.48 138.49 54.34 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.501 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' H ' ' A' ' 6' ' ' DAR . 27.2 m -88.64 109.07 19.8 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.424 -1.753 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.303 -178.394 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -59.99 132.87 55.28 Favored 'General case' 0 CA--C 1.502 -0.884 0 CA-C-O 120.945 0.402 . . . . 0.0 110.494 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.7 m -105.86 101.08 10.61 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.787 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -80.7 136.77 36.24 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -136.31 102.75 5.07 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 123.139 0.275 . . . . 0.0 110.396 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.35 172.69 4.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 120.703 0.287 . . . . 0.0 110.316 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -82.22 144.78 51.04 Favored Pre-proline 0 C--N 1.294 -1.808 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -49.35 -39.62 43.87 Favored 'Trans proline' 0 N--CA 1.484 0.921 0 C-N-CA 123.239 2.626 . . . . 0.0 112.335 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -56.41 -53.44 57.41 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.67 0.788 . . . . 0.0 110.109 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.15 -47.05 86.25 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.8 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.4 t -55.82 -47.29 77.45 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.56 0.538 . . . . 0.0 111.525 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -65.23 -39.64 93.0 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -60.33 -47.98 83.71 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 123.761 0.663 . . . . 0.0 110.319 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.94 -40.68 98.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.375 0.131 . . . . 0.0 110.698 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -61.57 -46.92 87.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.647 178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -78.49 -20.22 51.33 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -91.77 -49.72 6.12 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 120.376 -0.53 . . . . 0.0 112.144 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -94.07 -11.22 31.11 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -85.46 106.45 16.82 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.138 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.3 m -138.17 149.42 24.61 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 172.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -114.08 110.81 20.6 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.0 m -89.21 109.18 20.09 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.6 m -113.67 95.1 5.16 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.212 -171.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 55.9 m . . . . . 0 CA--C 1.514 -0.422 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.46 167.27 20.36 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 174.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.7 m -126.4 110.82 13.75 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -98.59 128.14 44.79 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -127.58 126.43 42.09 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.261 -177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.24 157.73 3.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 172.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.5 p -75.28 152.32 85.9 Favored Pre-proline 0 C--N 1.308 -1.214 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.917 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -42.82 -47.95 7.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 C-N-CA 124.099 3.199 . . . . 0.0 114.197 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.99 -46.63 83.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.63 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -60.94 -46.65 89.86 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.35 -52.01 55.7 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.013 -178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -65.02 -40.8 95.38 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.439 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.46 -36.83 85.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.706 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.87 -42.58 90.17 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 58.7 mtpt -65.93 -39.08 90.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.66 -39.33 73.67 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.969 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.14 -60.45 2.21 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -74.25 -50.85 17.3 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -171.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.469 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.696 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 51.2 t -77.18 89.56 3.66 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.544 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -145.77 143.15 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -106.39 144.7 32.69 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.8 t -147.17 170.5 17.09 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.555 -170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -88.63 94.16 9.8 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 122.704 0.402 . . . . 0.0 110.058 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.505 -0.78 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 64.3 m . . . . . 0 C--O 1.24 0.561 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.29 164.79 19.93 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.679 0.276 . . . . 0.0 111.241 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m -138.04 105.98 5.68 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.2 m95 -98.61 109.64 22.36 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -116.23 123.48 47.84 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.395 0.617 . . . . 0.0 111.059 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.6 155.1 41.54 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 65.4 p -79.42 151.42 74.86 Favored Pre-proline 0 C--N 1.302 -1.496 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.849 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.18 -35.52 19.96 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 123.799 2.999 . . . . 0.0 113.714 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.19 -52.12 63.6 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 120.989 0.423 . . . . 0.0 110.596 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.29 -43.12 99.39 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -54.85 -47.68 73.87 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.096 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -62.15 -45.77 91.98 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.715 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.2 tttp -63.23 -42.36 99.22 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.56 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -63.6 -42.76 98.23 Favored 'General case' 0 C--O 1.246 0.897 0 CA-C-O 120.836 0.351 . . . . 0.0 111.029 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 25.2 mtpp -59.81 -45.4 92.47 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.26 177.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.5 -43.71 80.24 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.657 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 2.8 tp10 -63.85 -60.78 2.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.755 -174.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -89.87 -28.85 18.96 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -170.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.404 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 44.1 t -84.32 107.55 16.67 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.573 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.6 m -142.88 150.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -98.48 142.07 30.55 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -150.06 145.86 26.63 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-N 118.026 0.375 . . . . 0.0 110.884 -173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.4 p -94.53 101.45 13.35 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.415 177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 N--CA 1.436 -1.17 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 177.692 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -63.87 147.11 52.7 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.0 m -110.63 124.24 51.51 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -104.55 110.94 23.43 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -103.47 114.99 29.69 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.527 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.3 m -125.04 158.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 129.88 93.58 Favored Pre-proline 0 C--N 1.311 -1.075 0 O-C-N 123.87 0.731 . . . . 0.0 110.004 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 97.7 Cg_exo -45.71 -46.63 14.87 Favored 'Trans proline' 0 C--O 1.25 1.119 0 C-N-CA 124.627 3.551 . . . . 0.0 114.416 -177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.65 -46.42 79.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.832 0.349 . . . . 0.0 110.176 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.15 -36.27 83.49 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 12.7 t -54.81 -54.41 42.65 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.82 1.248 . . . . 0.0 111.389 176.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -65.83 -33.14 75.15 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.798 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -64.73 -37.88 89.1 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.104 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -65.06 -39.74 93.71 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 20' ' ' DSG . 55.4 mtpt -60.04 -40.39 89.23 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.774 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.62 -43.76 75.7 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.595 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -65.72 -57.84 7.09 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.544 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -95.29 -0.59 52.72 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -170.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.499 ' HB3' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -94.48 103.89 15.85 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.499 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 m -144.59 158.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -110.59 145.6 37.58 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -136.01 126.97 27.7 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 120.937 0.399 . . . . 0.0 109.939 -176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 m -104.98 96.98 6.91 Favored 'General case' 0 N--CA 1.416 -2.171 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.314 -0.968 0 C-N-CA 125.317 1.447 . . . . 0.0 107.18 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.449 -0.515 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -60.06 144.48 49.4 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 16.6 m -107.07 112.39 25.3 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.754 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -101.66 118.3 36.66 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.776 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.481 ' HA ' ' HB ' ' A' ' 25' ' ' THR . 61.8 mtp180 -119.35 159.07 24.85 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.77 147.26 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.469 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.3 p -73.59 162.8 72.56 Favored Pre-proline 0 C--N 1.293 -1.875 0 O-C-N 123.413 0.446 . . . . 0.0 110.291 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.78 -32.14 96.51 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.073 1.849 . . . . 0.0 109.918 175.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -67.83 -51.47 48.15 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.416 178.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -58.21 -44.51 88.19 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 123.049 0.218 . . . . 0.0 110.661 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -54.41 -51.75 63.93 Favored 'General case' 0 C--O 1.243 0.711 0 O-C-N 123.658 0.599 . . . . 0.0 110.613 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -61.12 -44.24 97.64 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -60.13 -41.98 93.84 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 124.61 1.164 . . . . 0.0 112.546 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -68.64 -41.0 80.0 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.015 0.436 . . . . 0.0 110.111 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.91 -45.72 92.51 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.963 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.9 -33.91 76.93 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 123.781 0.832 . . . . 0.0 110.529 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -70.64 -60.12 2.44 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.637 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -97.88 -54.56 3.06 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 -170.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -82.28 101.51 10.58 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.382 0.61 . . . . 0.0 112.115 -177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -138.7 146.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 3' ' ' THR . 15.9 tpt180 -116.55 129.63 56.29 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.9 m -91.81 170.62 9.74 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 ' HB ' ' HA ' ' A' ' 5' ' ' ARG . 12.0 t -65.15 138.61 58.39 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-O 121.353 0.596 . . . . 0.0 110.493 179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 . . . . . 0 N--CA 1.423 -1.792 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.576 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 21' ' ' CYS . 85.8 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -61.53 147.34 45.75 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 122.981 0.513 . . . . 0.0 110.367 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.4 m -123.59 106.39 10.54 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -86.54 113.11 22.18 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.903 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.559 ' HA ' ' OG1' ' A' ' 25' ' ' THR . 61.7 mtm180 -100.36 134.9 42.62 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.494 -174.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.6 m -119.13 145.68 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.791 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -75.74 155.5 85.09 Favored Pre-proline 0 C--N 1.296 -1.745 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -48.36 -38.47 34.4 Favored 'Trans proline' 0 N--CA 1.482 0.845 0 C-N-CA 123.393 2.729 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 9.2 mp0 -60.66 -53.27 59.51 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.44 -43.69 98.43 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.184 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.1 t -55.25 -58.18 8.77 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.956 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -62.69 -36.54 83.25 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.369 -178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -55.05 -54.02 48.34 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 123.711 0.632 . . . . 0.0 110.247 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.81 -39.66 91.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.605 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.25 -47.46 85.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.723 0.296 . . . . 0.0 111.196 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.55 -29.97 65.35 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -77.6 -32.65 53.69 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.716 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -105.07 -74.71 0.64 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 52.5 t -75.55 92.54 2.92 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.142 0.496 . . . . 0.0 109.866 178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.28 143.65 27.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -96.21 146.11 24.97 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.2 t -127.49 162.74 25.7 Favored 'General case' 0 C--N 1.277 -2.586 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 5' ' ' ARG . 30.0 m -102.91 123.34 46.36 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 . . . . . 0 C--O 1.236 0.381 0 O-C-N 124.788 1.305 . . . . 0.0 111.135 -179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.449 -0.495 0 CA-C-O 120.892 0.377 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -65.01 151.6 45.57 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.688 0.795 . . . . 0.0 111.023 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -119.06 140.96 49.19 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -129.51 109.49 11.09 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 106.045 -1.835 . . . . 0.0 106.045 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -120.39 116.61 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.651 -172.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.3 m -72.5 161.98 4.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.146 -177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.2 p -77.27 155.43 82.02 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.352 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -49.9 -36.97 45.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.461 2.774 . . . . 0.0 113.39 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.82 -51.39 59.29 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.391 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.23 -45.7 83.65 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 48.2 t -55.73 -56.31 21.93 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.178 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 tpp180 -58.97 -49.61 77.21 Favored 'General case' 0 C--O 1.251 1.183 0 C-N-CA 123.283 0.633 . . . . 0.0 109.678 -178.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 60.3 tttp -50.57 -58.34 6.04 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.425 1.49 . . . . 0.0 110.799 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -70.2 -32.29 70.13 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 12' ' ' CYS . 58.4 mtpt -63.52 -43.01 98.41 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.535 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.1 pt-20 -83.43 -19.28 36.23 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.464 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 6.7 tp10 -72.19 -49.99 31.09 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.87 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -106.12 -15.17 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -172.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.0 t -83.52 97.55 9.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.878 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -140.34 156.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -115.42 100.29 7.99 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-O 120.956 0.408 . . . . 0.0 110.384 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.67 111.88 23.64 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.271 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 m -105.5 120.21 41.04 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.064 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.436 -1.166 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.505 -0.768 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -75.88 130.47 38.57 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.031 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.1 m -99.41 123.79 43.99 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.8 m95 -115.2 148.7 38.76 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' THR . 65.2 mtm180 -130.81 127.53 38.85 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-O 120.717 0.294 . . . . 0.0 110.539 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m -107.01 151.63 8.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.451 ' HB2' ' HG2' ' A' ' 11' ' ' GLU . 19.8 m -68.15 134.56 91.49 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -45.88 -40.41 19.88 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 124.202 3.268 . . . . 0.0 114.753 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.19 -34.86 68.73 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 117.916 0.325 . . . . 0.0 111.405 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 8' ' ' SER . 17.7 mm-40 -67.3 -40.52 86.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 174.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 50.8 t -61.88 -35.81 79.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.109 177.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -67.08 -37.63 84.32 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -63.22 -38.36 90.86 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.651 174.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -67.86 -37.87 82.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.956 0.408 . . . . 0.0 110.209 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HE3' ' SG ' ' A' ' 12' ' ' CYS . 99.1 mttt -68.47 -26.23 65.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.488 0.661 . . . . 0.0 110.532 176.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -78.59 -57.16 3.91 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.643 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -72.26 -51.39 21.14 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.026 -0.988 . . . . 0.0 112.797 -172.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -89.14 -46.14 9.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -173.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.513 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.5 t -76.47 100.68 5.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.816 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -130.52 145.9 34.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.73 109.72 13.47 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.256 0.551 . . . . 0.0 109.776 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -94.29 132.03 39.3 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 14.2 t -132.88 160.06 38.09 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--N 1.302 -1.484 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.172 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -69.81 150.34 46.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.7 m -117.55 119.39 34.87 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -105.14 111.93 24.87 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.957 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -127.26 124.99 40.14 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.62 159.96 21.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.578 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.4 m -69.75 147.16 96.22 Favored Pre-proline 0 C--N 1.291 -1.943 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -53.53 -46.13 36.02 Favored 'Trans proline' 0 C--O 1.258 1.517 0 C-N-CA 122.882 2.388 . . . . 0.0 112.38 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.67 -45.61 93.5 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.869 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.83 -41.72 98.15 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.365 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -55.53 -55.6 29.97 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.117 0.567 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.09 -32.51 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.993 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -59.71 -51.27 70.51 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.886 0.874 . . . . 0.0 110.7 175.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -64.56 -37.03 86.15 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 8.9 mtpm? -63.27 -39.15 93.77 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.12 -32.5 50.46 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.344 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -78.34 -50.73 11.25 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -89.34 -31.54 17.75 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.4 t -83.63 97.16 8.93 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.55 141.89 27.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -98.39 98.83 10.01 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.57 117.62 32.14 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -101.79 105.76 16.67 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-O 121.494 0.664 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 177.719 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.9 m . . . . . 0 C--O 1.234 0.272 0 N-CA-C 110.514 -0.18 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -66.34 125.93 27.19 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 23' ' ' ARG . 54.8 m -90.68 125.19 35.59 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -101.91 109.84 21.68 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -104.65 120.51 41.5 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-O 121.034 0.445 . . . . 0.0 110.706 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.74 165.56 3.48 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 170.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -71.75 152.66 93.39 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.16 0.436 . . . . 0.0 109.84 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.17 -50.9 11.71 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 123.281 2.654 . . . . 0.0 112.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.8 mp0 -58.39 -50.48 73.54 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.775 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.2 -48.22 79.33 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 123.853 0.721 . . . . 0.0 110.425 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 48.4 t -55.37 -50.82 68.71 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.832 0.708 . . . . 0.0 111.088 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.12 -37.94 89.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.479 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 62.8 mtpt -65.83 -45.8 80.94 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -60.98 -45.05 96.35 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.588 0.232 . . . . 0.0 111.203 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -62.51 -44.14 97.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -76.25 -21.95 55.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.031 0.443 . . . . 0.0 110.821 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.87 -60.28 2.4 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.944 0.402 . . . . 0.0 111.681 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -83.39 -48.69 10.1 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -170.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.4 t -82.63 88.34 6.69 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.771 0.796 . . . . 0.0 110.215 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -150.12 155.4 7.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 3' ' ' THR . 79.5 ttt180 -120.08 112.34 19.0 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -142.39 146.91 35.41 Favored 'General case' 0 C--N 1.283 -2.285 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -115.36 128.34 56.01 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.246 0.546 . . . . 0.0 109.528 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.255 1.392 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.238 0.461 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -107.34 153.87 22.11 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.976 0.417 . . . . 0.0 111.358 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.5 m -112.18 131.71 55.31 Favored 'General case' 0 N--CA 1.431 -1.399 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.4 m95 -103.25 135.0 45.71 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -112.37 101.48 9.67 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.332 0.111 . . . . 0.0 111.179 -176.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.7 160.85 4.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.943 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -71.32 137.43 84.01 Favored Pre-proline 0 C--N 1.314 -0.937 0 O-C-N 123.524 0.515 . . . . 0.0 110.335 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -45.51 -47.14 13.64 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 124.742 3.628 . . . . 0.0 115.612 -176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.53 -40.17 85.06 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.954 -0.467 . . . . 0.0 111.004 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 41.0 mm-40 -66.18 -41.94 89.56 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 53.2 t -54.41 -53.35 55.31 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 123.399 0.68 . . . . 0.0 110.562 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -66.08 -30.16 70.62 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.501 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 11' ' ' GLU . 54.4 tptt -60.46 -48.3 82.35 Favored 'General case' 0 C--O 1.212 -0.881 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 172.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -67.31 -36.82 82.27 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.93 0.395 . . . . 0.0 110.266 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 20' ' ' DSG . 29.5 mtpp -63.86 -34.6 78.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.138 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -92.14 -31.6 15.43 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.062 0.458 . . . . 0.0 111.437 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -81.56 -44.26 17.56 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.718 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -94.68 -25.12 16.86 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.395 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . 0.547 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.7 t -74.21 92.66 2.24 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.245 -177.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -140.98 150.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -107.36 110.32 22.28 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.4 t -130.95 167.74 18.5 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.701 -174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 146.75 54.55 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.958 0.903 . . . . 0.0 111.286 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.41 128.1 35.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.281 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -96.77 117.78 31.8 Favored 'General case' 0 C--N 1.294 -1.829 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -89.73 140.06 29.95 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.269 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.3 131.37 53.06 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -104.54 148.35 9.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 C-N-CA 120.099 -0.64 . . . . 0.0 109.635 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.0 p -78.19 158.79 76.59 Favored Pre-proline 0 C--N 1.3 -1.575 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -51.1 -38.62 60.42 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 123.279 2.653 . . . . 0.0 111.413 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.61 -59.41 5.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.469 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.58 -47.81 81.09 Favored 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 39.4 t -54.61 -48.81 71.75 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.639 0.587 . . . . 0.0 111.634 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -66.31 -37.69 85.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.247 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -67.27 -44.61 78.9 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.594 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -61.96 -40.03 94.18 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.919 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HG2' HG23 ' A' ' 22' ' ' VAL . 49.5 mtpt -65.31 -43.54 90.7 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.249 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.56 -41.87 91.15 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 123.744 0.653 . . . . 0.0 111.3 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.38 -53.37 6.06 Favored 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -81.83 -41.29 21.26 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -171.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -84.3 88.46 7.24 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.563 -177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' HG2' ' A' ' 16' ' ' LYS . 17.8 m -149.62 158.42 5.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 107.505 -1.295 . . . . 0.0 107.505 175.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -138.29 150.33 46.54 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.0 m -119.04 150.64 39.62 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.3 m -88.23 97.47 11.03 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.144 0.497 . . . . 0.0 109.703 178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.224 179.402 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 56.4 m . . . . . 0 C--O 1.238 0.489 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -111.15 132.07 54.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.464 -176.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.8 m -100.57 109.33 21.41 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -99.27 109.74 22.34 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -176.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.09 110.11 20.21 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.32 152.29 30.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -60.28 140.02 91.57 Favored Pre-proline 0 C--N 1.304 -1.392 0 O-C-N 123.362 0.414 . . . . 0.0 111.553 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 83.0 Cg_exo -44.62 -50.26 8.44 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 124.585 3.524 . . . . 0.0 114.546 -176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -63.24 -44.83 94.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.657 0.265 . . . . 0.0 110.73 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.11 -37.58 87.93 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.555 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.8 -46.7 81.41 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 76.4 mtp180 -60.49 -45.75 92.63 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.842 177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.88 -44.35 97.2 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.591 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -63.72 -40.59 97.14 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.587 0.232 . . . . 0.0 111.149 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -62.88 -49.31 75.32 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -26.88 67.19 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -80.66 -60.22 2.39 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -91.43 -17.17 26.2 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -168.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' CYS . 49.2 t -80.89 92.47 6.14 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.51 0.671 . . . . 0.0 110.464 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -141.97 145.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -111.51 94.19 4.84 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-O 121.812 0.815 . . . . 0.0 109.983 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 t -103.63 168.84 8.89 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -106.02 97.01 6.88 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-O 122.321 1.058 . . . . 0.0 109.975 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 N--CA 1.419 -2.02 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.145 . . . . . . . . 0 0 . 1 stop_ save_