data_2kvm_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 2kvm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.665 0.269 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 15' ' ' SER . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 90.9 m95 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.447 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.9 Cg_exo . . . . . 0 N--CA 1.463 -0.276 0 N-CA-C 111.786 -0.121 . . . . 0.0 111.786 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' HD12 ' A' ' 48' ' ' ILE . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 43' ' ' GLU . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.621 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' HD13 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.533 ' HE1' HG23 ' A' ' 41' ' ' THR . 83.1 m95 . . . . . 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo . . . . . 0 N--CA 1.462 -0.366 0 N-CA-C 111.717 -0.147 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 32' ' ' TRP . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 48' ' ' ILE . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 43' ' ' GLU . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.549 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' HE1' HG23 ' A' ' 41' ' ' THR . 73.3 m95 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 N-CA-C 111.659 -0.169 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.634 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.581 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.538 ' HE1' HG23 ' A' ' 41' ' ' THR . 80.4 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.461 -0.411 0 N-CA-C 111.367 -0.282 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.538 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 48' ' ' ILE . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 43' ' ' GLU . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' HIS . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 17' ' ' ARG . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.619 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.45 ' HE1' HG23 ' A' ' 41' ' ' THR . 89.6 m95 . . . . . 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo . . . . . 0 N--CA 1.46 -0.458 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.45 HG23 ' HE1' ' A' ' 32' ' ' TRP . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.432 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 HG13 ' OE2' ' A' ' 45' ' ' GLU . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.45 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.509 ' HB2' HD13 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 6.9 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.548 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 22' ' ' ARG . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.527 ' HE1' HG23 ' A' ' 41' ' ' THR . 88.3 m95 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo . . . . . 0 N--CA 1.461 -0.4 0 N-CA-C 111.438 -0.255 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.533 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' O ' HD13 ' A' ' 16' ' ' ILE . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' HD13 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 11.9 t . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.482 0.182 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.599 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.6 ' HE1' HG23 ' A' ' 41' ' ' THR . 73.6 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 111.628 -0.182 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.6 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' O ' ' OG ' ' A' ' 15' ' ' SER . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' ARG . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HE3' HG11 ' A' ' 26' ' ' VAL . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CB ' HD13 ' A' ' 48' ' ' ILE . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.521 ' HE1' HG23 ' A' ' 41' ' ' THR . 74.9 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.462 -0.332 0 N-CA-C 111.839 -0.1 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.579 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.543 ' H ' HG23 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.437 ' O ' HD13 ' A' ' 16' ' ' ILE . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.547 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HE3' HG11 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' HE1' HG23 ' A' ' 41' ' ' THR . 78.8 m95 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo . . . . . 0 N--CA 1.447 -1.26 0 N-CA-C 111.422 -0.261 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.548 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 50' ' ' ASP . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.6 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.435 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 55' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 12.2 t . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG11 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.548 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.485 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 97.7 m95 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' ILE . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.489 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 43' ' ' GLU . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG13 ' OE2' ' A' ' 45' ' ' GLU . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG11 ' HB ' ' A' ' 30' ' ' VAL . 24.7 t . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.679 0.276 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 44' ' ' PRO . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.636 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.585 ' HE1' HG23 ' A' ' 41' ' ' THR . 91.0 m95 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo . . . . . 0 N--CA 1.445 -1.334 0 N-CA-C 111.328 -0.297 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HB2' HD12 ' A' ' 48' ' ' ILE . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 43' ' ' GLU . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.597 ' HB2' HD13 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.691 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 22' ' ' ARG . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.607 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HZ3' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.481 ' HE1' HG23 ' A' ' 41' ' ' THR . 85.0 m95 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.451 -0.249 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.402 ' HB3' HD13 ' A' ' 29' ' ' LEU . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 32' ' ' TRP . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.584 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 16' ' ' ILE . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.467 HG11 ' HB ' ' A' ' 30' ' ' VAL . 25.3 t . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.273 0.082 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' HH ' HG13 ' A' ' 54' ' ' VAL . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HE1' HG23 ' A' ' 41' ' ' THR . 69.7 m95 . . . . . 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.445 -1.332 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 48' ' ' ILE . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.617 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 43' ' ' GLU . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.412 ' CD2' HG13 ' A' ' 13' ' ' VAL . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG13 ' HH ' ' A' ' 28' ' ' TYR . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' HH ' ' A' ' 57' ' ' TYR . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.601 ' HE1' HG23 ' A' ' 41' ' ' THR . 84.0 m95 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.853 -0.095 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.601 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.8 t . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.569 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 17' ' ' ARG . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' HB2' HD13 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' HB ' HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' NZ ' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 98.5 m95 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo . . . . . 0 N--CA 1.446 -1.3 0 N-CA-C 111.329 -0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 28' ' ' TYR . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' HIS . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 8.9 t . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 17' ' ' ARG . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.658 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 26' ' ' VAL . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' GLY . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HB ' HG11 ' A' ' 13' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.658 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.556 ' HE1' HG23 ' A' ' 41' ' ' THR . 78.9 m95 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.63 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo . . . . . 0 N--CA 1.449 -1.114 0 N-CA-C 111.4 -0.269 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.63 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.556 HG23 ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.586 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 13' ' ' VAL . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HB2' HD13 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.62 HG11 HG12 ' A' ' 30' ' ' VAL . 33.6 t . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.68 HG12 HG22 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 HG21 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.533 ' HB2' HD13 ' A' ' 48' ' ' ILE . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG22 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.542 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 90.6 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 120.44 0.1 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.504 ' HG1' ' HE1' ' A' ' 32' ' ' TRP . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.528 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 28' ' ' TYR . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' HIS . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 50' ' ' ASP . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 12.0 t . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' HH ' HG13 ' A' ' 54' ' ' VAL . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.489 ' HE1' HG23 ' A' ' 41' ' ' THR . 59.6 m95 . . . . . 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.527 0.14 0 N-CA-C 111.42 -0.262 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.489 HG23 ' HE1' ' A' ' 32' ' ' TRP . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.611 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 50' ' ' ASP . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG13 ' HH ' ' A' ' 28' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG11 ' HB ' ' A' ' 30' ' ' VAL . 2.5 t . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB3' HD11 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' HB ' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.433 ' HE1' HG23 ' A' ' 41' ' ' THR . 96.4 m95 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.461 -0.439 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 ' HE1' ' A' ' 32' ' ' TRP . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.694 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.694 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 50' ' ' ASP . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 50' ' ' ASP . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG11 ' HB ' ' A' ' 30' ' ' VAL . 2.6 t . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.546 HG22 ' HB3' ' A' ' 28' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CE2' HG21 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' HB ' HG11 ' A' ' 13' ' ' VAL . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' HE1' HG23 ' A' ' 41' ' ' THR . 93.9 m95 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.462 -0.362 0 N-CA-C 111.605 -0.19 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HE1' ' A' ' 32' ' ' TRP . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 48' ' ' ILE . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.671 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 43' ' ' GLU . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.765 HG21 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.991 0.424 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -108.66 128.8 55.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.926 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 tt -85.86 -61.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 p -159.42 78.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . 63.07 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt 48.19 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.569 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 97.46 -51.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.633 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -147.22 168.51 21.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.019 0.438 . . . . 0.0 111.307 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -149.94 -67.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.846 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 49' ' ' LEU . 29.0 t 65.24 119.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.795 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -137.35 -151.03 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.308 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 124.41 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t -97.97 129.77 47.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.628 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.589 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.621 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 90.9 m95 -62.89 135.04 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 1.2 tpmt? -52.33 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.192 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.67 23.46 1.03 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.874 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.621 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.7 m95 -140.41 147.91 51.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 111.119 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.9 Cg_exo -69.21 157.66 60.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.962 2.441 . . . . 0.0 111.786 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' HB2' HD12 ' A' ' 48' ' ' ILE . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 HD12 ' HB2' ' A' ' 43' ' ' GLU . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 10' ' ' VAL . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.621 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.5 ' HB2' HD13 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -69.25 -8.95 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -77.36 -41.42 40.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.668 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -70.47 -43.06 70.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.698 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' ARG . 16.8 mm-40 -62.67 -52.8 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.109 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.2 -38.85 63.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.7 0.286 . . . . 0.0 110.545 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -58.8 -45.67 89.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.36 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.84 -63.47 1.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' GLU . 33.2 mtp180 -40.45 -30.38 0.11 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.51 95.99 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.097 0.475 . . . . 0.0 111.261 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.9 m -141.21 -43.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.61 162.49 27.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.667 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -109.62 130.89 55.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.574 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.9 ttt180 -163.93 -162.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 23.5 tptm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.41 133.06 55.63 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -113.71 -27.77 7.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 58.51 37.97 25.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 59.09 -92.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -137.31 133.65 35.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.8 -9.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 52.7 p -86.73 -162.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.517 ' HD3' ' H ' ' B' ' 23' ' ' LYS . 3.7 mppt? -59.45 133.35 56.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.551 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.402 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -161.07 149.19 15.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 0.0 111.504 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.25 -177.65 5.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.534 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.1 ptp180 -105.93 168.68 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.114 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m 60.15 -176.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.468 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -66.2 -52.3 39.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.593 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.061 1.841 . . . . 0.0 112.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 61.66 16.05 7.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.38 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mp -125.36 45.08 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.3 t -132.46 -59.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.09 -27.44 65.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 HG21 ' HG3' ' A' ' 8' ' ' GLU . 14.6 mt -98.59 131.18 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -37.13 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.733 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' ' OG ' ' B' ' 28' ' ' SER . 24.2 mt-10 56.89 -174.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.68 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' HG2' ' OG ' ' B' ' 28' ' ' SER . 12.9 pt20 -174.76 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 49' ' ' LEU . 49.0 t 63.29 133.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' B' ' 24' ' ' ALA . 24.8 m-85 -137.45 -160.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.403 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.28 128.74 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t -106.54 131.25 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.646 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG21 HG21 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.565 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 83.1 m95 -73.68 133.54 43.41 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.646 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 22.5 ttpp -56.52 -70.72 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.36 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.92 19.55 0.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.782 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.565 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 82.6 m95 -139.02 150.22 64.29 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 117.39 0.595 . . . . 0.0 111.592 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo -68.92 163.84 35.98 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.045 2.497 . . . . 0.0 111.717 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.543 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.533 HG23 ' HE1' ' A' ' 32' ' ' TRP . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 48' ' ' ILE . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 43' ' ' GLU . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.544 HD12 HG21 ' A' ' 10' ' ' VAL . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.565 ' HG3' ' HE3' ' B' ' 23' ' ' LYS . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -67.13 -11.54 57.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -76.71 -42.4 41.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.297 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.525 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 2.6 mttt -69.77 -39.47 76.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.021 0.439 . . . . 0.0 109.856 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.8 mm-40 -68.38 -50.4 53.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.212 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.4 -37.32 64.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.391 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -62.73 -52.77 61.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.225 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 69' ' ' TYR . 42.8 mtp180 -47.79 -29.87 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.472 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 53.72 -85.88 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.812 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ARG . 44.2 t -126.2 -55.78 1.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.12 64.48 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.396 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 74.6 t80 -86.55 -14.77 41.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.969 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 59.86 -147.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.859 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.582 ' HD3' ' HB2' ' B' ' 15' ' ' ALA . 32.0 Cg_exo -58.31 112.8 1.29 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 121.983 1.788 . . . . 0.0 112.19 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -89.15 135.33 33.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.572 ' HB3' ' HZ1' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -84.06 1.95 41.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.124 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.91 -83.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.48 149.65 21.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.49 ' HB1' ' HD3' ' A' ' 33' ' ' LYS . . . -87.69 147.33 25.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -92.44 -33.57 14.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.542 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.565 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 74.6 mmtt -141.39 -177.74 5.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.192 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -142.15 175.99 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.758 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 13' ' ' VAL . . . -161.36 -162.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.59 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.529 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.3 ptp180 -124.3 164.77 18.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.97 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.115 179.124 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 8' ' ' GLU . 6.0 p -124.12 -160.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.637 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.405 ' H ' ' HB2' ' B' ' 28' ' ' SER . . . 61.41 65.44 1.84 Allowed Pre-proline 0 C--N 1.332 -0.176 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.461 2.107 . . . . 0.0 112.299 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 28.6 mmt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.05 0.452 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 52.96 34.64 17.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.43 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -85.01 67.85 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.705 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -169.7 -12.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -101.87 -35.04 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.391 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.41 -82.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -30.99 2.43 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.603 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -120.25 -161.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.168 0.509 . . . . 0.0 112.201 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -170.23 -38.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.259 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.521 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 21.6 t 68.23 140.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.941 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.05 -164.31 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.607 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.2 100.9 9.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t -79.29 124.74 37.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.549 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 HG21 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.583 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.3 m95 -68.28 129.54 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.3 ttpp -61.25 -57.44 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.568 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 17.27 3.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.371 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.583 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.6 m95 -143.57 154.17 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.995 0.397 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -70.49 158.82 54.89 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.672 2.248 . . . . 0.0 111.659 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD12 HG21 ' A' ' 10' ' ' VAL . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.634 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.53 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.24 -8.78 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -42.31 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.168 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -68.16 -43.67 77.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.251 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 18.2 mm-40 -65.79 -54.09 31.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.636 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.3 pt-20 -47.7 -44.76 27.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.6 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.462 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 36.9 ttt180 -61.98 -46.41 89.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.765 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -76.39 -64.27 1.15 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.17 0.509 . . . . 0.0 109.872 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 45.0 mtp180 -45.83 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.012 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 174.56 -40.92 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.029 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -173.54 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.06 -143.97 10.7 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.93 129.73 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . 5.4 tpt180 -105.18 -162.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 25.7 ttpp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.651 ' H3 ' ' HD2' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.651 ' HD2' ' H3 ' ' B' ' 15' ' ' ALA . 73.0 Cg_endo -74.31 117.49 5.01 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.991 1.794 . . . . 0.0 112.346 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -67.47 -21.21 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.692 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.36 96.83 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.501 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -76.11 113.82 14.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 111.27 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.4 73.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.92 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.106 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p 44.66 -94.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.636 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.474 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 51.5 mtpt -79.34 109.3 13.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.746 0.307 . . . . 0.0 110.399 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.05 166.08 25.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.055 0.455 . . . . 0.0 111.944 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' ' 49' ' ' LEU . . . -161.37 146.68 13.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.62 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.402 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -84.64 160.6 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.0 -179.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 73.5 m -153.31 -168.11 2.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.83 85.84 23.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.063 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.545 2.163 . . . . 0.0 112.267 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 121.152 0.501 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -94.57 -21.48 18.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.195 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.522 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -106.89 106.61 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -89.51 -171.62 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -24.74 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mm -45.23 -74.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.901 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.56 78.15 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.482 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.582 ' H ' ' HB3' ' B' ' 29' ' ' ALA . 44.2 mt-10 63.74 -179.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.526 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -157.02 -41.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 49' ' ' LEU . 21.5 t 63.82 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.742 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -151.42 -161.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.63 108.18 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.535 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t -88.04 125.65 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.807 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.581 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.581 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 80.4 m95 -66.65 126.5 29.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 25.0 ttpt -60.62 -58.87 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.736 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.74 14.82 3.27 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.569 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.547 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 69.4 m95 -140.5 155.73 69.7 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 117.11 0.455 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.2 159.38 52.46 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.551 2.167 . . . . 0.0 111.367 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.538 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 48' ' ' ILE . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.574 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 43' ' ' GLU . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 HG21 ' A' ' 10' ' ' VAL . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' HG ' ' HG2' ' B' ' 23' ' ' LYS . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.511 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.21 -12.06 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.34 -39.78 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.83 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 1.2 mttm -69.62 -40.74 76.4 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.992 0.425 . . . . 0.0 110.631 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.197 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 9.7 pt-20 -61.26 -31.45 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.712 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -67.7 -51.91 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.283 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.62 -62.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.852 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -51.02 -59.46 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.19 31.3 3.5 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 0.0 111.495 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -85.62 -39.38 17.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.199 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.18 132.76 0.1 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.805 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -77.53 -34.65 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.662 ' HD3' ' H ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -94.68 -150.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.662 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 23.7 tptm . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.598 0.237 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 -167.42 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.534 2.156 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 58.06 70.77 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.98 -84.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 56.24 -88.12 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.297 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -123.49 138.79 54.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.97 115.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.438 ' HB ' ' HD3' ' B' ' 23' ' ' LYS . 44.3 p -65.0 -64.87 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -131.02 125.55 33.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.328 . . . . 0.0 110.375 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -106.15 -79.24 0.57 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.603 ' H ' ' HB2' ' A' ' 49' ' ' LEU . . . 63.69 139.86 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 111.484 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -105.48 147.25 28.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.547 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 179.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t 179.01 179.34 0.42 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 8' ' ' GLU . . . -138.61 102.63 7.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.437 2.091 . . . . 0.0 112.293 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.951 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 58.28 24.49 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.162 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 tp -168.96 72.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.749 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -173.08 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.99 137.31 10.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.685 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -66.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.744 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.4 -23.86 7.97 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.421 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.33 -178.66 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.165 0.507 . . . . 0.0 111.844 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 HE21 ' HA ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.77 44.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.708 179.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.473 HG21 HD12 ' A' ' 49' ' ' LEU . 24.9 t -44.51 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.14 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.81 -162.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.38 126.23 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t -103.88 123.14 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.723 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.639 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 17' ' ' ARG . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.619 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.715 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.426 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.619 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.45 ' HE1' HG23 ' A' ' 41' ' ' THR . 89.6 m95 -75.16 137.59 41.43 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.639 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 4.7 ttpt -67.35 142.78 56.66 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.963 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.62 -11.13 3.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.256 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' H ' ' C ' ' A' ' 33' ' ' LYS . 91.9 m95 -107.74 149.5 39.05 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo -71.34 157.93 55.62 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.041 2.494 . . . . 0.0 111.594 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.463 ' HG1' ' HG3' ' B' ' 27' ' ' MLY . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.715 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.432 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 HG21 ' A' ' 10' ' ' VAL . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.584 ' HB3' ' HE3' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 HG13 ' OE2' ' A' ' 45' ' ' GLU . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.45 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.483 ' O ' ' HD2' ' A' ' 60' ' ' LYS . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.509 ' HB2' HD13 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -70.32 -8.26 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 15.0 mt-10 -80.27 -44.31 19.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 5.5 mttt -68.87 -41.59 78.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 110.076 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.9 mm-40 -64.53 -52.06 59.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.498 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 12.8 pt-20 -52.59 -40.69 62.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.398 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -62.02 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.539 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.56 -62.04 1.71 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.166 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' GLU . 80.7 mtt180 -44.82 -27.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.736 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -44.07 -43.4 6.83 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.749 0.309 . . . . 0.0 111.655 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.4 m -135.17 -40.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.82 -58.69 0.56 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.568 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -129.78 97.99 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -152.4 -167.64 2.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.504 0.192 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.91 129.4 34.36 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.587 2.191 . . . . 0.0 112.388 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.26 89.19 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.63 ' HB2' ' HZ2' ' B' ' 18' ' ' LYS . 10.3 mtmp? -112.68 101.03 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -143.64 -15.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.518 HD11 ' N ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -99.02 28.54 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.37 45.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -61.45 117.87 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.477 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.584 ' HE3' ' HB3' ' A' ' 52' ' ' ARG . 18.9 mttp -78.84 165.82 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -145.55 153.57 41.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.04 162.28 39.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -96.59 151.26 19.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.397 -179.36 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.463 ' HG3' ' HG1' ' A' ' 41' ' ' THR . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.458 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 61.01 -176.86 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.042 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.7 74.93 75.27 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.572 2.181 . . . . 0.0 112.337 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.099 0.476 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.08 148.58 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.043 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.08 48.98 14.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -169.52 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.754 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 -59.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.75 -74.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.263 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 -72.0 2.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.12 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.613 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 9.8 mt-10 -132.98 -169.69 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.565 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 12.3 pt20 -158.34 -35.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.898 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG21 HD12 ' A' ' 49' ' ' LEU . 28.1 t 62.86 147.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.623 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 16.1 m-85 -140.69 -142.47 0.15 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.301 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -127.0 114.32 17.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.442 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 6.9 t -89.06 122.95 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.548 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 22' ' ' ARG . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG21 HG21 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 88.3 m95 -70.46 132.67 45.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -62.32 -54.16 44.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.247 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.0 19.68 4.24 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.974 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.673 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 83.6 m95 -145.42 153.4 51.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 111.253 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.18 153.48 66.95 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.83 2.353 . . . . 0.0 111.438 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.533 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD12 HG21 ' A' ' 10' ' ' VAL . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HD2' ' HE2' ' B' ' 23' ' ' LYS . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' HD13 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.1 -11.89 51.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.5 -43.26 15.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.211 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -66.1 -44.02 85.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.961 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . 19.8 mm-40 -63.6 -55.96 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.516 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.04 -38.72 11.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.298 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -59.36 -54.86 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.045 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.36 -62.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.257 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' HG3' ' HB3' ' A' ' 61' ' ' GLU . 26.3 mmm180 -35.78 -41.23 0.21 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.971 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.58 -80.94 0.01 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.292 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' ARG . 59.6 m -136.3 112.45 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.67 53.3 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.544 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.64 145.0 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.742 0.306 . . . . 0.0 110.644 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.518 ' NE ' ' H ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -156.05 -160.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.249 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 88.5 tttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.918 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.5 133.58 20.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.45 2.1 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -107.13 139.23 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -145.57 138.56 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -128.6 20.44 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -14.08 58.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.81 124.73 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -102.98 -73.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.205 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER 62.7 127.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.471 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -142.08 162.43 35.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.871 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -132.51 -178.09 4.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.667 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.74 -87.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 121.148 0.499 . . . . 0.0 110.206 -178.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 33.4 t -163.85 157.25 18.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.167 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.582 ' H ' ' HD2' ' B' ' 30' ' ' PRO . . . -164.17 -53.02 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.625 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.582 ' HD2' ' H ' ' B' ' 29' ' ' ALA . 32.2 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.046 1.831 . . . . 0.0 112.252 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -38.16 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.76 78.5 0.12 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 p -153.67 -57.53 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.53 -32.23 4.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.7 mt 52.24 82.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 94.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.529 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.37 178.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.425 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.51 HE21 ' HB3' ' B' ' 27' ' ' MLY . 10.1 pt20 -174.37 -42.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.5 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.636 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 50.8 t 64.39 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.108 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 10.7 m-85 -140.91 -160.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.348 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -107.94 116.08 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.354 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' B' ' 25' ' ' ALA . 11.9 t -91.28 121.31 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.599 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 HG21 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.63 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.6 m95 -64.82 131.28 46.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.2 ttpp -60.45 -59.22 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.71 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.16 19.27 3.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.585 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.63 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 73.5 m95 -142.71 153.55 61.63 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 117.178 0.489 . . . . 0.0 111.466 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -70.21 161.2 46.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.843 2.362 . . . . 0.0 111.628 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.6 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' B' ' 26' ' ' ARG . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.522 ' HG3' ' HE2' ' B' ' 23' ' ' LYS . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.567 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' O ' ' HD2' ' A' ' 60' ' ' LYS . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 -67.18 -9.91 45.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -84.46 -41.46 16.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 0.7 OUTLIER -67.91 -41.88 81.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.034 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' ARG . 57.8 mt-10 -65.84 -53.38 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.38 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 9.7 pt-20 -48.62 -41.24 30.41 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.289 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.6 mmt180 -61.35 -52.49 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.681 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.72 -64.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' GLU . 15.9 mmt180 -37.74 -53.76 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -71.31 93.54 1.13 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.311 0.577 . . . . 0.0 111.08 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -153.25 -12.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.25 77.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -126.42 -69.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.881 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 14.8 ttp180 -153.42 -143.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.442 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.6 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.802 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 -13.14 34.62 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.47 2.114 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.438 ' HD3' HD22 ' B' ' 20' ' ' LEU . 29.1 ttm180 -156.61 129.87 8.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.785 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.633 ' HB2' ' HZ2' ' B' ' 18' ' ' LYS . 10.3 mtmp? -134.23 145.58 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 58.91 92.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.438 HD22 ' HD3' ' B' ' 17' ' ' ARG . 61.3 tp -140.6 98.93 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.33 100.11 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.583 HG22 ' HG2' ' B' ' 23' ' ' LYS . 65.7 m -92.52 -74.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.583 ' HG2' HG22 ' B' ' 22' ' ' THR . 46.7 mmtm -139.26 -163.0 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -147.82 144.37 28.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 111.968 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 13' ' ' VAL . . . -128.42 -167.17 1.73 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.525 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.645 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.7 ptp180 -119.84 166.7 12.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.611 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.51 ' HB3' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.997 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.8 p -59.13 90.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.055 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.46 156.05 0.12 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.477 2.118 . . . . 0.0 112.264 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.964 0.411 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.7 -4.19 26.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' SER . 92.5 mt -63.45 122.27 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 3' ' ' LEU . 32.4 t 74.05 -4.84 2.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.898 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.43 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.53 118.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.818 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 76.83 0.22 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.664 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 35.3 mt-10 60.68 -178.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -163.3 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.645 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.526 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 10.6 t 65.15 139.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.603 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.8 -101.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.538 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.23 102.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 40.7 t -85.28 123.68 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.871 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 14' ' ' GLU . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 HG23 ' N ' ' A' ' 17' ' ' ARG . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' HE3' HG11 ' A' ' 26' ' ' VAL . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CB ' HD13 ' A' ' 48' ' ' ILE . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 74.9 m95 -63.47 133.04 53.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.631 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 23.6 ttpt -54.27 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.207 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.7 25.74 1.42 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.963 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 84.3 m95 -141.8 151.47 59.89 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.322 0.561 . . . . 0.0 111.368 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 12.2 Cg_exo -69.48 160.09 51.11 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.984 2.456 . . . . 0.0 111.839 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.579 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' B' ' 25' ' ' ALA . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.543 ' H ' HG23 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.68 -12.95 62.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -80.54 -39.01 28.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.232 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -68.57 -40.45 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.778 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.8 mm-40 -64.76 -53.61 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.204 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.09 -35.39 59.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -64.34 -48.01 77.21 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.7 -65.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLU . 48.3 mtp180 -44.22 -31.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.302 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 52.24 -88.81 0.02 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.032 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 t -164.08 -24.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.76 147.1 18.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.666 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -71.33 -21.66 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.982 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.628 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 21.6 ttp180 -97.28 -162.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.628 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 62.6 tttp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.563 0.22 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.09 -33.49 74.05 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.597 2.198 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -163.29 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 57.46 -176.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.398 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -77.59 -71.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 76.3 mt 59.8 80.66 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.21 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.7 p -79.39 -114.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.277 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.462 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER 53.36 82.56 0.08 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.506 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -126.53 -178.94 4.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.455 ' HA ' HD11 ' A' ' 49' ' ' LEU . . . -159.13 162.8 36.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.526 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.42 171.12 10.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.53 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.664 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 3.7 m -134.53 -79.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.645 0.259 . . . . 0.0 111.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.48 151.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.341 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.513 2.142 . . . . 0.0 112.391 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.031 0.444 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -105.29 134.07 49.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -92.34 -35.94 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.668 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -159.46 -167.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -56.07 -47.1 78.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt 52.29 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.024 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 141.85 -61.71 0.53 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.363 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 63.6 159.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.078 0.466 . . . . 0.0 111.464 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.494 HE21 ' H ' ' B' ' 27' ' ' MLY . 4.2 pp0? -169.94 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.195 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG21 HD12 ' A' ' 49' ' ' LEU . 44.7 t 65.03 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.141 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -143.92 -169.23 3.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' HE2' ' A' ' 33' ' ' LYS . . . -100.49 128.7 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.793 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t -105.94 127.96 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.547 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HE3' HG11 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.557 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.669 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.8 m95 -67.56 134.83 51.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 14.4 mtmt -43.73 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 39.57 1.45 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.295 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.669 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -141.87 149.67 53.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.207 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo -81.63 161.7 19.19 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 123.23 2.62 . . . . 0.0 111.422 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.548 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.575 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 50' ' ' ASP . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 HG21 ' A' ' 10' ' ' VAL . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.6 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.435 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.542 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -69.37 -8.53 47.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -85.23 -36.61 20.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 7.8 mttt -66.22 -44.22 84.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 21.5 pt-20 -62.17 -48.94 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.851 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 35.8 mt-10 -46.66 -65.95 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.113 0.482 . . . . 0.0 110.482 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -58.6 -26.13 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.947 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -96.87 -67.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.7 ptt180 -71.82 -44.23 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.535 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . -77.05 1.46 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.828 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 p -168.66 117.6 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.307 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.88 -85.77 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -106.23 95.55 5.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.651 0.262 . . . . 0.0 110.505 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' HD2' ' HA ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER 48.35 -159.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.531 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.461 0.172 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -57.55 114.49 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.042 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -126.8 -47.4 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -167.58 130.32 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.314 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -140.53 -92.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.546 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.9 mt 46.96 92.39 0.01 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 111.813 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.69 107.58 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.574 HG23 ' HG3' ' B' ' 23' ' ' LYS . 3.3 t -90.4 -40.26 12.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.574 ' HG3' HG23 ' B' ' 22' ' ' THR . 48.8 mttp -86.85 117.1 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.444 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -151.66 168.65 24.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.92 161.27 19.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 ptp180 -89.97 158.81 17.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.046 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.494 ' H ' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.9 t 60.12 92.18 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.26 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.7 152.83 0.12 Allowed Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.508 2.139 . . . . 0.0 112.282 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.028 0.442 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.69 -25.93 12.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.145 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 78.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -102.79 -33.72 9.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.03 -26.81 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.542 HG21 ' HB2' ' A' ' 8' ' ' GLU . 67.4 mt -62.14 117.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.17 70.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.656 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' HB2' HG21 ' A' ' 6' ' ' ILE . 39.1 mt-10 -40.76 139.26 0.86 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.713 0.292 . . . . 0.0 111.389 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -163.14 -4.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.677 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 16.7 t 65.72 148.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.02 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.03 -103.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.589 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.81 113.59 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.724 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 12.2 t -90.18 130.4 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HE3' HG11 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.548 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.485 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 97.7 m95 -92.53 137.46 32.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 35' ' ' TRP . 23.0 mtmt -57.99 133.15 55.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.403 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -18.12 2.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.662 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' H ' ' C ' ' A' ' 33' ' ' LYS . 87.7 m95 -97.42 147.25 32.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo -72.42 156.95 53.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.099 2.533 . . . . 0.0 111.8 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' HD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB2' HD12 ' A' ' 48' ' ' ILE . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.721 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.489 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.524 HD12 ' HB2' ' A' ' 43' ' ' GLU . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' B' ' 25' ' ' ALA . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.454 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG13 ' OE2' ' A' ' 45' ' ' GLU . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.462 ' HB2' HD13 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.71 -11.25 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -78.21 -46.9 19.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.089 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 2.8 mtpp -68.25 -41.81 80.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 9.3 mm-40 -66.73 -50.76 61.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.709 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.3 -37.48 62.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.742 0.306 . . . . 0.0 110.465 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -63.05 -53.88 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -82.42 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.339 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.6 mtp180 -48.58 -35.7 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.13 -88.56 0.02 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.116 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -140.95 -60.46 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.315 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -79.89 -47.74 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.003 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 38.7 ttt180 -142.47 -145.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.664 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 63.5 tttp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.502 0.192 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.61 -29.71 36.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.412 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -98.68 -50.53 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -74.51 143.99 44.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -129.32 24.89 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 55.17 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.27 6.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -166.16 16.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.494 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 60.5 mttp 55.61 -96.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.16 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.724 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 63.53 159.01 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.175 0.512 . . . . 0.0 112.208 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.576 ' HA ' HD11 ' A' ' 49' ' ' LEU . . . -159.56 174.12 15.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 3.3 ptp180 -89.19 147.4 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.31 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.168 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.464 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 18.1 t -83.07 49.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.363 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.437 ' HB3' ' HD3' ' B' ' 30' ' ' PRO . . . -80.37 -51.03 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' B' ' 29' ' ' ALA . 72.8 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.06 1.84 . . . . 0.0 112.405 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.957 0.408 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 63.17 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.84 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.68 91.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -166.04 -53.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.02 -26.1 18.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG23 ' H ' ' B' ' 29' ' ' ALA . 54.4 mt -62.16 96.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.49 12.23 70.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 55.3 -178.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.46 . . . . 0.0 111.429 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -178.0 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.776 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 HD12 ' A' ' 49' ' ' LEU . 41.8 t 65.52 146.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.576 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -134.85 -109.48 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.545 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.34 109.72 0.45 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.685 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 24.7 t -87.61 125.51 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.592 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HA ' ' HH ' ' A' ' 57' ' ' TYR . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 44' ' ' PRO . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.636 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.585 ' HE1' HG23 ' A' ' 41' ' ' THR . 91.0 m95 -66.47 133.32 50.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -63.44 135.33 56.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.463 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.14 -25.13 4.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.92 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 88.1 m95 -91.46 150.28 40.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo -80.31 157.51 22.76 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 123.05 2.5 . . . . 0.0 111.328 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.585 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HB2' HD12 ' A' ' 48' ' ' ILE . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB2' ' A' ' 43' ' ' GLU . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' B' ' 26' ' ' ARG . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HB3' ' NZ ' ' B' ' 23' ' ' LYS . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.597 ' HB2' HD13 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.12 -12.82 58.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -81.89 -34.56 29.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.918 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -69.0 -42.08 76.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.29 -47.24 68.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.38 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 10.9 pt-20 -62.41 -33.78 75.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.913 0.387 . . . . 0.0 110.468 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -63.93 -52.05 61.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.372 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.93 -64.26 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.024 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -51.25 -59.74 3.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.2 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.53 16.07 0.4 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.908 0.385 . . . . 0.0 111.766 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -168.65 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.12 -21.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -88.5 147.32 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.68 0.276 . . . . 0.0 110.742 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttt180 -70.76 -147.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.671 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 86.3 tttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.532 0.206 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.23 142.78 86.98 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.597 2.198 . . . . 0.0 112.208 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' B' ' 17' ' ' ARG . 5.8 tpm_? -164.03 -58.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.404 ' HE2' HD21 ' B' ' 20' ' ' LEU . 20.9 ptmt -114.4 138.58 50.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.65 97.8 8.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.414 HD11 ' HE2' ' B' ' 23' ' ' LYS . 78.8 mt -93.13 -1.12 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.65 12.69 3.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.27 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m 64.43 114.49 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 52' ' ' ARG . 19.4 mttm -67.64 -47.46 69.51 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.33 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.685 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 62.3 160.11 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.566 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -156.74 178.77 9.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.268 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 49' ' ' LEU . 4.1 ptp180 -102.91 163.53 12.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.79 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.432 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.5 p 59.37 169.07 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.195 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.47 ' H ' HG23 ' A' ' 6' ' ' ILE . . . -63.33 -52.43 61.0 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.61 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.993 0 C-N-CA 122.057 1.838 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HG2' ' H ' ' A' ' 2' ' ' GLU . 11.7 ttm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 1' ' ' MET . 0.6 OUTLIER 52.46 96.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.459 179.484 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.61 ' H ' HD21 ' A' ' 3' ' ' LEU . 1.1 pt? -54.34 117.81 3.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 6' ' ' ILE . 87.2 p -148.06 144.11 27.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 72.19 -26.26 0.18 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 4' ' ' SER . 49.5 mm -52.1 -62.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.479 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.65 -68.63 3.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.128 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 7.9 mt-10 -130.53 175.43 8.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.0 110.624 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -163.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 22.4 t 65.56 142.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -134.87 -101.82 0.23 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.646 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.87 111.09 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.514 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 41.0 t -90.71 121.08 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.966 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.691 HD13 ' HB3' ' A' ' 53' ' ' LEU . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 22' ' ' ARG . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.607 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HZ3' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 85.0 m95 -63.93 128.73 37.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -58.67 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.05 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.31 18.75 2.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.611 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 74.6 m95 -141.64 153.37 65.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 117.154 0.477 . . . . 0.0 111.092 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.53 156.91 64.17 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.716 2.278 . . . . 0.0 111.451 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' HB3' HD13 ' A' ' 29' ' ' LEU . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.481 HG23 ' HE1' ' A' ' 32' ' ' TRP . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.584 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD12 HG21 ' A' ' 10' ' ' VAL . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.691 ' HB3' HD13 ' A' ' 16' ' ' ILE . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -67.03 -17.16 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -38.19 66.48 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -71.01 -36.38 72.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.651 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.59 -54.32 33.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.71 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.98 -32.2 65.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -64.6 -49.68 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.6 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -42.08 -50.86 4.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.59 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 50.43 32.39 6.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.241 0.543 . . . . 0.0 111.237 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -141.63 112.78 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.35 -98.6 0.12 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.283 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.66 -39.84 11.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.5 ttt180 53.2 -163.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.036 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.587 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 28.6 tptp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.587 0.232 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.86 138.33 48.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.461 2.107 . . . . 0.0 112.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -125.58 -26.47 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -173.83 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 55.04 79.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -104.2 -34.91 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -94.03 133.84 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.502 ' HB2' ' HG ' ' A' ' 53' ' ' LEU . 74.5 mmtt -92.14 176.61 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.514 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -146.33 160.48 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 111.813 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.428 ' HB1' HG22 ' A' ' 13' ' ' VAL . . . -137.87 177.34 7.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.693 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.59 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 3.6 ptp180 -104.29 142.66 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.354 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.134 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.465 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 69.0 m -83.0 137.4 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.19 130.65 23.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' HG2' ' A' ' 8' ' ' GLU . 67.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.283 1.989 . . . . 0.0 112.282 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 121.024 0.44 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.62 73.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.176 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.612 ' H ' HD21 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -77.99 104.1 8.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -159.08 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.86 -73.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.9 mt 58.59 101.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.682 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.22 79.49 1.04 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.833 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.4 163.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.089 0.471 . . . . 0.0 111.251 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.484 HE21 ' HB3' ' B' ' 27' ' ' MLY . 9.9 pt20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 60.0 t 64.64 143.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.248 0.546 . . . . 0.0 111.863 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.69 -167.93 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.306 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.78 128.6 52.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' B' ' 25' ' ' ALA . 25.3 t -102.46 114.99 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.188 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' HH ' HG13 ' A' ' 54' ' ' VAL . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 69.7 m95 -74.68 137.08 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 1.4 tmmt? -67.85 140.45 56.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.446 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.46 -16.09 5.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.094 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.472 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -102.1 149.14 36.31 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -79.37 157.82 25.83 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 123.004 2.469 . . . . 0.0 111.594 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.427 HG23 ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' HB2' HD12 ' A' ' 48' ' ' ILE . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.617 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 43' ' ' GLU . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD23 ' NE ' ' B' ' 26' ' ' ARG . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG13 ' HH ' ' A' ' 28' ' ' TYR . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -68.74 -12.56 61.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -78.31 -42.98 29.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -69.16 -42.58 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.926 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.5 mm-40 -66.14 -52.54 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.273 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 10.5 pt-20 -51.07 -40.84 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 16.0 mmt180 -58.37 -53.9 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.73 -63.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.409 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' GLU . 54.4 mtp180 -45.77 -21.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.303 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 62' ' ' GLU . . . -42.21 -49.44 4.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.712 0.292 . . . . 0.0 111.509 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 t -102.48 -53.25 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.997 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.6 -22.88 8.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -82.87 99.89 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -96.72 -164.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 52.7 Cg_exo -55.04 125.85 20.58 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.97 1.78 . . . . 0.0 112.419 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 57.36 -164.48 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -56.78 150.5 16.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.009 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -145.82 153.69 41.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -112.62 1.81 15.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.16 52.58 7.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.344 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -85.7 -6.37 59.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' B' ' 23' ' ' LYS . 3.5 mppt? -68.57 146.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.764 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.79 168.28 16.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.406 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.486 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -153.57 -173.43 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.864 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 8.8 ptp180 -118.18 159.52 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.484 ' HB3' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.595 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.7 m -133.6 149.44 51.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.33 2.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.931 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.419 2.079 . . . . 0.0 112.312 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.949 0.404 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 60.32 174.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.508 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.5 tp 54.47 74.04 0.36 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -158.15 -55.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.57 11.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG22 ' HB2' ' B' ' 28' ' ' SER . 48.2 mt -55.92 124.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.204 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.89 90.35 0.49 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.115 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.465 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 5.1 mt-10 -47.72 129.69 14.1 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 120.592 0.234 . . . . 0.0 110.44 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.6 ' O ' HG21 ' A' ' 10' ' ' VAL . 12.6 pt20 -145.43 -61.63 0.34 Allowed 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.263 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 9' ' ' GLN . 86.5 t -158.62 160.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.896 0.379 . . . . 0.0 111.542 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.456 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -152.57 -134.79 0.05 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.525 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 110.38 3.67 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.576 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t -103.16 129.53 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' HH ' ' A' ' 57' ' ' TYR . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.48 HG21 HG21 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.601 ' HE1' HG23 ' A' ' 41' ' ' THR . 84.0 m95 -77.75 146.12 36.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.12 137.48 57.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.59 -4.56 2.07 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.928 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.483 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.0 m95 -104.91 146.84 33.44 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 6.5 Cg_exo -74.24 160.54 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 111.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.601 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.408 ' HB3' ' HG3' ' B' ' 26' ' ' ARG . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.513 HD23 ' NE ' ' B' ' 26' ' ' ARG . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.619 ' HG2' ' HZ1' ' B' ' 23' ' ' LYS . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' HH ' ' HA ' ' A' ' 18' ' ' LYS . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -66.3 -13.68 60.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -38.24 21.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.609 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -70.59 -41.05 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.53 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 12.7 pt-20 -68.65 -48.55 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.249 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.66 -38.84 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -66.41 -44.96 81.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.752 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -75.78 -60.94 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 95.1 mtt180 -50.58 -25.3 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.731 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -46.93 -52.75 13.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.7 0.286 . . . . 0.0 111.517 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -161.46 -59.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.84 176.16 20.83 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.577 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.58 155.92 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 49.63 -153.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.56 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.816 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.6 0.238 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.99 85.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.425 2.083 . . . . 0.0 112.157 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -98.28 162.77 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -84.25 125.72 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -63.87 151.86 41.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.03 -172.5 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 171.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -129.51 133.6 47.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.008 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.619 ' HZ1' ' HG2' ' A' ' 52' ' ' ARG . 13.8 mmtp -99.38 148.16 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.612 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -130.21 178.28 6.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.119 0.485 . . . . 0.0 111.925 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 49' ' ' LEU . . . -159.99 159.53 32.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.734 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 7.2 ptp180 -73.38 169.6 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.005 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.547 ' HB2' HG22 ' A' ' 6' ' ' ILE . 96.6 p -161.23 48.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.5 153.88 0.12 Allowed Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.439 2.093 . . . . 0.0 112.438 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 58.64 43.02 19.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 55.96 69.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -114.32 -67.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.42 -80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mt 53.38 92.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.421 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.31 -29.94 60.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.057 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.526 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 47.8 mt-10 60.86 163.18 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.948 0.404 . . . . 0.0 111.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 12.0 pt20 178.79 -62.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.434 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.581 HG12 ' HB1' ' B' ' 24' ' ' ALA . 21.9 t 58.39 167.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.956 0.408 . . . . 0.0 111.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -121.5 -98.71 0.44 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.666 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.61 113.7 2.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.847 0.356 . . . . 0.0 111.028 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG21 ' HB3' ' B' ' 25' ' ' ALA . 2.8 t -84.92 130.16 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.758 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.569 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 17' ' ' ARG . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' HB2' HD13 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' HB ' HG11 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' NZ ' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 98.5 m95 -65.63 140.07 58.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -53.43 -72.92 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.107 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.31 26.16 1.05 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.432 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 91.9 m95 -142.05 150.1 54.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 0.0 111.251 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo -80.81 154.75 20.25 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 123.038 2.492 . . . . 0.0 111.329 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.484 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' HB3' ' B' ' 26' ' ' ARG . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' B' ' 25' ' ' ALA . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 10' ' ' VAL . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HE ' ' HD3' ' B' ' 23' ' ' LYS . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 52' ' ' ARG . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.22 -13.37 62.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -37.32 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' HZ3' ' HZ3' ' A' ' 31' ' ' LYS . 9.0 mtpt -72.91 -40.89 65.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.59 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.05 -49.39 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.141 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.4 pt-20 -56.51 -40.24 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 14.1 mmm180 -61.15 -54.11 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.51 -62.44 1.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.64 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.236 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.95 16.43 0.23 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.986 0.422 . . . . 0.0 111.502 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -176.71 -164.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.331 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.7 -150.02 18.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.71 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -82.35 149.95 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 0.0 110.727 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -70.09 -169.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.483 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.654 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.608 ' H1 ' ' HD2' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.608 ' HD2' ' H1 ' ' B' ' 15' ' ' ALA . 93.6 Cg_endo -79.09 -15.43 12.96 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.049 1.833 . . . . 0.0 112.347 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -157.84 82.83 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.727 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -162.58 -22.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -132.71 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.68 -64.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.76 -64.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p 50.97 -171.31 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.588 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.446 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 23.3 mtmm -131.39 73.84 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 10' ' ' VAL . . . -75.56 153.34 37.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.353 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 48' ' ' ILE . . . -167.3 116.52 0.83 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.682 ' HG3' ' H ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER 56.33 -168.24 0.1 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 177.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.682 ' H ' ' HG3' ' B' ' 26' ' ' ARG . . . . . . . . 0 CA--C 1.519 -0.223 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.432 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.526 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 24.7 p -112.31 -78.3 0.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.729 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.544 ' HB2' HH22 ' B' ' 26' ' ' ARG . . . -60.48 145.19 87.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.05 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 122.421 2.081 . . . . 0.0 112.221 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.998 0.427 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.82 161.34 15.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.108 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD13 ' HB3' ' B' ' 30' ' ' PRO . 5.0 tt -138.45 107.29 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -154.65 -18.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.747 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.97 -28.31 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.93 105.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.07 72.46 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.598 ' HB3' ' HB3' ' B' ' 26' ' ' ARG . 42.8 mt-10 64.45 153.28 0.05 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.112 0.482 . . . . 0.0 111.527 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.705 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -151.22 -75.31 0.15 Allowed 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.705 ' H ' ' HG3' ' A' ' 9' ' ' GLN . 75.0 t -155.08 160.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -151.22 -138.01 0.08 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.28 100.52 2.9 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 8.9 t -86.73 132.0 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 17' ' ' ARG . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.658 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 26' ' ' VAL . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' GLY . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HB ' HG11 ' A' ' 13' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.658 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.9 m95 -73.17 134.79 44.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -56.13 -67.32 0.31 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.821 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.53 25.17 1.4 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.496 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.1 m95 -144.13 152.96 55.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 111.179 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.63 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo -81.07 158.89 20.63 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.174 2.583 . . . . 0.0 111.4 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.63 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.556 HG23 ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.586 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD23 ' HE ' ' B' ' 26' ' ' ARG . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 13' ' ' VAL . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.449 ' HB2' HD13 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.09 -13.19 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -74.26 -46.28 42.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.945 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 4.9 mtpt -69.17 -40.2 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.5 mm-40 -65.29 -50.65 64.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.178 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.78 -36.7 62.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -59.84 -55.29 36.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.173 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -83.02 -65.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.417 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' GLU . 52.7 mtp180 -45.24 -33.11 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.666 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.62 -82.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' ARG . 48.5 t -100.8 -68.67 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.732 0.301 . . . . 0.0 110.8 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.96 -133.24 1.97 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.835 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.778 0.323 . . . . 0.0 111.188 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.598 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttp180 -73.15 -164.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.598 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.7 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.449 0.166 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.94 116.13 2.58 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.567 2.178 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -100.43 -10.4 21.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.994 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.89 64.79 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.956 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -124.11 -38.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.64 100.56 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.707 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.68 137.54 56.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -118.31 -26.88 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 52' ' ' ARG . 19.1 mttt -127.42 139.0 53.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -142.44 159.41 42.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.738 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.3 -172.59 2.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.598 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 94.7 mtt180 -89.28 -90.65 0.14 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.594 HH21 ' HB3' ' B' ' 28' ' ' SER . . . . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.738 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.594 ' HB3' HH21 ' B' ' 27' ' ' MLY . 45.6 t -44.02 134.83 4.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 111.343 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -72.88 -50.76 6.89 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.74 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.478 ' HB3' HD13 ' A' ' 3' ' ' LEU . 57.7 Cg_endo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 121.923 1.749 . . . . 0.0 112.276 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.962 0.411 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -111.19 70.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.998 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 ' C ' ' H ' ' A' ' 5' ' ' ALA . 87.9 mt 56.77 -88.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p 67.67 -3.96 1.03 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.253 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' A' ' 3' ' ' LEU . . . -84.5 -30.83 24.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 110.084 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.567 HG22 ' HG3' ' A' ' 8' ' ' GLU . 32.4 mt 48.13 94.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.77 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.68 -20.22 58.54 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.071 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.711 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 42.6 mt-10 57.09 -178.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.346 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.584 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 13.9 pt20 -176.72 53.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG21 HD12 ' A' ' 49' ' ' LEU . 26.4 t -52.93 137.6 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.79 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -136.01 -129.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.572 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.42 108.37 8.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.661 0.267 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.62 HG11 HG12 ' A' ' 30' ' ' VAL . 33.6 t -78.88 132.49 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.68 HG12 HG22 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.578 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 HG21 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.578 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.533 ' HB2' HD13 ' A' ' 48' ' ' ILE . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG22 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.542 ' CZ3' HG23 ' A' ' 13' ' ' VAL . 90.6 m95 -94.0 127.45 39.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -61.53 132.87 54.76 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.67 -28.17 3.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 74.8 m95 -90.04 152.27 46.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.638 0.256 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 11.3 Cg_exo -69.78 158.15 57.92 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.88 2.387 . . . . 0.0 111.9 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.504 ' HG1' ' HE1' ' A' ' 32' ' ' TRP . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.528 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.528 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 28' ' ' TYR . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.519 HD12 HG21 ' A' ' 10' ' ' VAL . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.499 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -66.95 -9.54 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.73 -37.92 22.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.236 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -68.81 -44.99 72.37 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.974 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 8.2 pt-20 -64.34 -61.35 2.29 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.422 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' GLU . 12.8 pt-20 -41.18 -46.4 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -54.43 -48.46 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.303 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.06 -64.61 1.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.423 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.771 ' HG3' ' H ' ' A' ' 66' ' ' ALA . 16.7 ptt180 -58.47 -67.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.771 ' H ' ' HG3' ' A' ' 65' ' ' ARG . . . -66.07 -13.96 60.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.729 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.4 t 80.99 -10.58 1.21 Allowed 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 123.537 0.523 . . . . 0.0 110.087 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.91 -116.34 3.26 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.867 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.434 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 21.3 t80 50.09 -90.83 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.724 0.297 . . . . 0.0 111.587 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 14.0 tpp180 -159.53 -144.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 5.0 tppp? . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.549 0.214 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.71 34.43 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.602 2.201 . . . . 0.0 112.229 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HE ' ' HA ' ' B' ' 17' ' ' ARG . 2.0 mmp_? -98.19 -44.89 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -121.98 -50.21 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.49 129.87 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.255 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.22 90.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.194 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.13 85.51 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -104.84 -73.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.402 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.57 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 37.9 mtmm -140.16 135.03 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.236 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -165.3 177.67 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.51 164.91 10.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.016 0.436 . . . . 0.0 111.688 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.48 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -84.14 164.01 19.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.276 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.493 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.331 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.711 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 6.9 t -82.15 -86.07 0.1 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.444 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . . . 61.77 162.67 0.11 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.31 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' B' ' 29' ' ' ALA . 77.5 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 112.552 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.039 0.447 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -106.5 -0.85 23.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.38 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.5 pt? -143.41 60.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -160.12 -36.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.44 138.44 6.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.82 105.2 13.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.22 12.85 67.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.888 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HG2' ' NH2' ' B' ' 26' ' ' ARG . 19.5 mt-10 54.82 -173.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' B' ' 27' ' ' MLY . 12.1 pt20 -177.13 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.613 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.46 HG21 HD12 ' A' ' 49' ' ' LEU . 45.8 t 63.88 136.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 121.149 0.5 . . . . 0.0 111.912 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -143.14 -161.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.539 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.4 118.04 34.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.117 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 12.0 t -94.34 124.57 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.719 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.513 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HB3' HD11 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG21 HG21 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' HH ' HG13 ' A' ' 54' ' ' VAL . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 31' ' ' LYS . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 59.6 m95 -69.55 128.11 35.35 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 22.7 ttpp -60.47 -59.86 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.888 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.97 18.89 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.612 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 68.2 m95 -141.83 156.6 65.67 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.263 0.532 . . . . 0.0 111.578 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.16 145.6 98.55 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.927 2.418 . . . . 0.0 111.42 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.489 HG23 ' HE1' ' A' ' 32' ' ' TRP . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.611 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' B' ' 26' ' ' ARG . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 50' ' ' ASP . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG13 ' HH ' ' A' ' 28' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.442 ' HB2' HD13 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.552 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 15.7 mt-10 -65.8 -9.38 28.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.38 -37.61 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.691 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -65.92 -43.92 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.735 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 10.9 pt-20 -62.28 -54.81 35.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.208 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 36.4 mt-10 -43.58 -60.21 1.86 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.026 0.441 . . . . 0.0 110.64 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -54.62 -31.22 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.736 -179.26 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.09 -67.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.633 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 16.2 ptt180 -65.57 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.633 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . -74.98 1.71 12.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.257 -178.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.2 m -129.27 1.43 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.015 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.99 -142.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.424 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.55 103.42 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.36 -162.84 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.071 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.43 0.157 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 24.7 Cg_exo -63.27 114.26 2.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.502 2.135 . . . . 0.0 112.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -107.62 -175.76 2.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm 57.88 83.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.412 ' HB2' HD22 ' B' ' 20' ' ' LEU . 3.0 pt20 -159.97 -51.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' B' ' 19' ' ' GLN . 0.6 OUTLIER -170.64 137.44 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.76 179.395 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.44 -33.24 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m 65.91 -77.51 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.601 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.422 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 2.2 mtpm? 65.58 111.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.177 0.513 . . . . 0.0 111.326 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.42 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -158.03 170.3 22.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.43 171.48 18.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.261 0.553 . . . . 0.0 112.39 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.465 ' HB3' HD12 ' A' ' 49' ' ' LEU . 14.0 ptm180 -107.54 144.88 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.148 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.429 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 41.7 t 65.69 -86.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.031 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.67 148.58 43.34 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.445 2.097 . . . . 0.0 112.368 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -108.13 88.92 2.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.046 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 tp 55.99 66.01 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' ILE . 77.8 p -170.65 159.85 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 72.66 -26.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.061 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' SER . 59.1 mt -59.49 -63.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.93 105.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.243 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 1.7 mt-10 -64.72 129.7 40.76 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 120.483 0.182 . . . . 0.0 111.018 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 2.8 pp0? 171.39 108.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.539 ' CG2' ' HA ' ' B' ' 26' ' ' ARG . 15.8 m -141.15 -119.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' H ' HG23 ' A' ' 10' ' ' VAL . 27.3 m-85 -107.93 -167.28 1.23 Allowed 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.552 0.691 . . . . 0.0 112.399 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.05 129.74 53.41 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.886 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' B' ' 24' ' ' ALA . 2.5 t -90.59 128.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.594 ' HB3' HD11 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' HB ' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 96.4 m95 -72.84 131.46 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 20.7 ttpt -62.54 -56.21 20.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.88 19.49 4.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.155 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.0 m95 -145.14 154.44 54.23 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-N 116.948 0.374 . . . . 0.0 111.593 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.05 156.95 61.36 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.849 2.366 . . . . 0.0 111.523 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 HG23 ' HE1' ' A' ' 32' ' ' TRP . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.694 ' HB2' ' HD1' ' A' ' 47' ' ' HIS . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.694 ' HD1' ' HB2' ' A' ' 44' ' ' PRO . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 ' C ' ' H ' ' A' ' 50' ' ' ASP . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' B' ' 26' ' ' ARG . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.548 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.509 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 -67.24 -10.51 51.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -82.1 -45.61 14.98 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 2.4 mttt -69.63 -39.94 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.066 0.46 . . . . 0.0 110.238 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.3 mm-40 -66.04 -53.65 35.78 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.132 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 11.0 pt-20 -50.92 -42.99 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.569 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 22.8 mmt180 -65.22 -53.91 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.59 -61.85 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.7 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.5 mtp180 -42.36 -44.86 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.894 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 67' ' ' SER . . . -59.74 -41.72 91.57 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.208 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.2 t 73.98 6.77 4.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.959 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.28 -178.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.98 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -52.86 149.87 5.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 1.2 tpp180 -72.41 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.317 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 16.8 tppt? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.97 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.621 0.248 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.1 133.75 21.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.547 2.165 . . . . 0.0 112.363 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -75.84 -40.29 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.642 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -164.47 115.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -144.6 82.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.737 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.43 ' N ' HD21 ' B' ' 20' ' ' LEU . 2.7 mm? -81.52 121.93 26.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 -174.66 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.7 m 63.53 113.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.299 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.548 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 65.8 mttt -79.43 164.34 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.453 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.558 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -171.45 168.77 6.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 0.0 111.794 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' H ' ' A' ' 49' ' ' LEU . . . -152.57 147.81 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.847 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.617 ' HB3' HD12 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -88.33 137.98 31.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 112.418 -178.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.449 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 65.2 73.76 0.4 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.702 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.87 151.26 0.11 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.471 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo . . . . . 0 C--O 1.248 0.975 0 C-N-CA 122.515 2.144 . . . . 0.0 112.243 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 57.27 72.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.014 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.1 tp -167.79 -7.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -134.31 -43.13 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.68 -69.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.53 73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.644 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 56.95 -172.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -171.79 -38.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.677 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG21 HD12 ' A' ' 49' ' ' LEU . 18.5 t 64.1 144.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.791 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.13 -107.5 0.17 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 100.61 0.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.133 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' B' ' 24' ' ' ALA . 2.6 t -79.01 125.42 38.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.113 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.546 HG22 ' HB3' ' A' ' 28' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.613 HG13 ' HG2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.765 ' CE2' HG21 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' HB ' HG11 ' A' ' 13' ' ' VAL . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 93.9 m95 -65.96 130.04 41.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 35' ' ' TRP . 24.6 ttpt -58.36 -60.45 3.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.922 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.82 20.59 1.78 Allowed Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.468 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.596 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.8 m95 -144.46 150.84 49.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 117.006 0.403 . . . . 0.0 111.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 15.5 Cg_exo -70.16 156.92 61.19 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.019 2.479 . . . . 0.0 111.605 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HE1' ' A' ' 32' ' ' TRP . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 48' ' ' ILE . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.671 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.475 ' HB2' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 43' ' ' GLU . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.577 HD12 HG21 ' A' ' 10' ' ' VAL . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.765 HG21 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.514 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' GLU . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.17 -14.49 63.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 30.3 mt-10 -76.37 -47.51 23.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.264 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.792 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.58 -50.27 67.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.35 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.98 -33.83 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.554 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -65.6 -56.74 10.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.394 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.01 -63.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.02 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -47.96 -43.05 29.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.434 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 46.04 -91.83 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.905 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -136.53 -71.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.648 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.2 -162.68 12.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.624 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -68.87 143.59 54.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.791 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HD2' ' HA ' ' A' ' 70' ' ' ARG . 3.0 tpt180 47.89 -159.9 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.585 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.9 -179.801 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.607 0.241 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.95 133.17 48.88 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.64 2.227 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.501 ' HG2' ' H ' ' B' ' 18' ' ' LYS . 13.1 ttm180 63.11 163.08 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.501 ' H ' ' HG2' ' B' ' 17' ' ' ARG . 59.5 mttm 61.54 175.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.266 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 62.15 -86.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.203 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.406 HD13 ' N ' ' B' ' 20' ' ' LEU . 5.9 mp -110.82 13.87 22.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.79 -178.89 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.271 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -100.44 145.01 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . 0.491 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -90.94 153.47 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.983 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.502 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -164.75 178.76 7.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.487 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.546 ' HA ' HD11 ' A' ' 49' ' ' LEU . . . -160.18 164.23 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.02 177.98 5.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' MLY . . . . . 0.414 ' HD3' HG22 ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.706 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 69.5 m -141.51 76.51 1.55 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.323 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.471 ' N ' HH21 ' B' ' 26' ' ' ARG . . . -75.22 131.26 78.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.405 2.07 . . . . 0.0 112.292 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.665 0.269 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.644 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 26' ' ' VAL . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' THR . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 90.9 m95 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.9 Cg_exo . . . . . 0 N--CA 1.463 -0.276 0 N-CA-C 111.786 -0.121 . . . . 0.0 111.786 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 30' ' ' VAL . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.615 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 26' ' ' VAL . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 83.1 m95 . . . . . 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo . . . . . 0 N--CA 1.462 -0.366 0 N-CA-C 111.717 -0.147 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 26' ' ' VAL . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 41' ' ' THR . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 73.3 m95 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 N-CA-C 111.659 -0.169 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' ASP . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.628 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.673 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 28' ' ' TYR . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 26' ' ' VAL . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 21' ' ' VAL . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.649 ' CG ' HD13 ' A' ' 16' ' ' ILE . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.626 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 80.4 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.461 -0.411 0 N-CA-C 111.367 -0.282 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' HG21 ' A' ' 30' ' ' VAL . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.596 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASP . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' HIS . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD1' HG22 ' A' ' 16' ' ' ILE . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' SER . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 57' ' ' TYR . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.648 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 26' ' ' VAL . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 30' ' ' VAL . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.648 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 89.6 m95 . . . . . 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo . . . . . 0 N--CA 1.46 -0.458 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.458 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.671 ' HB2' HD12 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.447 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.9 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.649 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 26' ' ' VAL . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' HG22 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 15' ' ' SER . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 88.3 m95 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo . . . . . 0 N--CA 1.461 -0.4 0 N-CA-C 111.438 -0.255 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.676 ' HB2' HD12 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 15' ' ' SER . 11.9 t . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.482 0.182 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 26' ' ' VAL . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CG ' HD13 ' A' ' 16' ' ' ILE . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 41' ' ' THR . 73.6 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 111.628 -0.182 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 15' ' ' SER . 40.7 t . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 13' ' ' VAL . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 28' ' ' TYR . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 26' ' ' VAL . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.462 -0.332 0 N-CA-C 111.839 -0.1 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' H ' HG22 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASP . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 28' ' ' TYR . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.58 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HE3' HG13 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 26' ' ' VAL . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 21' ' ' VAL . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CG ' HD13 ' A' ' 16' ' ' ILE . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 78.8 m95 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo . . . . . 0 N--CA 1.447 -1.26 0 N-CA-C 111.422 -0.261 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' HG22 ' A' ' 16' ' ' ILE . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 15' ' ' SER . 12.2 t . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 13' ' ' VAL . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' HG13 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 26' ' ' VAL . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.757 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 97.7 m95 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.757 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 28' ' ' TYR . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 15' ' ' SER . 24.7 t . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.679 0.276 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' HG12 ' A' ' 13' ' ' VAL . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 26' ' ' VAL . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 21' ' ' VAL . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 54' ' ' VAL . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' HE1' HG23 ' A' ' 41' ' ' THR . 91.0 m95 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo . . . . . 0 N--CA 1.445 -1.334 0 N-CA-C 111.328 -0.297 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 15' ' ' SER . 41.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 13' ' ' VAL . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 26' ' ' VAL . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.631 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' NZ ' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.0 m95 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.451 -0.249 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 15' ' ' SER . 25.3 t . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.273 0.082 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 13' ' ' VAL . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 26' ' ' VAL . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE1' ' CG2' ' A' ' 41' ' ' THR . 69.7 m95 . . . . . 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.445 -1.332 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 17' ' ' ARG . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' A' ' 16' ' ' ILE . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.63 ' HB2' HD12 ' A' ' 16' ' ' ILE . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 26' ' ' VAL . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB3' HG23 ' A' ' 16' ' ' ILE . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 84.0 m95 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HB2' ' HE3' ' A' ' 38' ' ' LYS . 6.5 Cg_exo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.853 -0.095 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 36' ' ' PRO . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.737 ' HB2' HD12 ' A' ' 16' ' ' ILE . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.8 t . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 98.5 m95 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo . . . . . 0 N--CA 1.446 -1.3 0 N-CA-C 111.329 -0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 36' ' ' PRO . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 28' ' ' TYR . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' HIS . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 16' ' ' ILE . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.552 ' HB2' HD12 ' A' ' 16' ' ' ILE . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 15' ' ' SER . 8.9 t . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 31' ' ' LYS . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.712 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 26' ' ' VAL . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 22' ' ' ARG . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 21' ' ' VAL . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 30' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.436 ' HE1' ' CG2' ' A' ' 41' ' ' THR . 78.9 m95 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.675 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo . . . . . 0 N--CA 1.449 -1.114 0 N-CA-C 111.4 -0.269 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.436 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.613 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HB3' HG13 ' A' ' 16' ' ' ILE . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 30' ' ' VAL . 33.6 t . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.737 HG12 HG23 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 26' ' ' VAL . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.444 ' CE2' HG22 ' A' ' 54' ' ' VAL . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.6 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 120.44 0.1 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' LEU . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' HIS . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 50' ' ' ASP . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.619 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 15' ' ' SER . 12.0 t . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.5 ' N ' HG12 ' A' ' 13' ' ' VAL . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.656 HD12 ' HB2' ' A' ' 57' ' ' TYR . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 26' ' ' VAL . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 . . . . . 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.527 0.14 0 N-CA-C 111.42 -0.262 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 28' ' ' TYR . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 48' ' ' ILE . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.656 ' HB2' HD12 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.5 t . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 26' ' ' VAL . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.636 ' CG ' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 96.4 m95 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.461 -0.439 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.462 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 28' ' ' TYR . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 50' ' ' ASP . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 57' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.916 HG12 ' OE2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.9 m95 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.462 -0.362 0 N-CA-C 111.605 -0.19 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CB ' ' A' ' 36' ' ' PRO . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.916 ' OE2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 50' ' ' ASP . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.991 0.424 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -108.66 128.8 55.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.926 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 tt -85.86 -61.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 p -159.42 78.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . 63.07 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt 48.19 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.569 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 97.46 -51.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.633 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -147.22 168.51 21.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.019 0.438 . . . . 0.0 111.307 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -149.94 -67.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.846 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG22 HD11 ' A' ' 49' ' ' LEU . 29.0 t 65.24 119.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.795 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -137.35 -151.03 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.308 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 124.41 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.0 t -97.97 129.77 47.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.628 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.644 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 26' ' ' VAL . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' THR . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 90.9 m95 -62.89 135.04 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 1.2 tpmt? -52.33 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.192 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.67 23.46 1.03 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.874 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.7 m95 -140.41 147.91 51.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 111.119 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 15.9 Cg_exo -69.21 157.66 60.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.962 2.441 . . . . 0.0 111.786 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 30' ' ' VAL . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 26' ' ' ARG . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.615 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -69.25 -8.95 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -77.36 -41.42 40.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.668 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -70.47 -43.06 70.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.698 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' ARG . 16.8 mm-40 -62.67 -52.8 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.109 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 9.5 pt-20 -53.2 -38.85 63.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.7 0.286 . . . . 0.0 110.545 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 11.7 ttt180 -58.8 -45.67 89.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.36 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.84 -63.47 1.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 33.2 mtp180 -40.45 -30.38 0.11 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -51.51 95.99 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.097 0.475 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.9 m -141.21 -43.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.61 162.49 27.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.667 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -109.62 130.89 55.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.9 ttt180 -163.93 -162.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 23.5 tptm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.41 133.06 55.63 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -113.71 -27.77 7.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 58.51 37.97 25.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 59.09 -92.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -137.31 133.65 35.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 22' ' ' THR . . . -157.8 -9.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.401 ' H ' ' H ' ' B' ' 21' ' ' ALA . 52.7 p -86.73 -162.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' B' ' 23' ' ' LYS . 3.7 mppt? -59.45 133.35 56.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.551 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -161.07 149.19 15.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 0.0 111.504 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.25 -177.65 5.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.567 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.1 ptp180 -105.93 168.68 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.114 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m 60.15 -176.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -66.2 -52.3 39.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.593 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.061 1.841 . . . . 0.0 112.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 61.66 16.05 7.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.38 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mp -125.36 45.08 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.3 t -132.46 -59.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.09 -27.44 65.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.534 HG22 ' HG3' ' A' ' 8' ' ' GLU . 14.6 mt -98.59 131.18 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -37.13 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.733 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 6' ' ' ILE . 24.2 mt-10 56.89 -174.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.68 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HG2' ' OG ' ' B' ' 28' ' ' SER . 3.6 pt20 -174.76 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' LEU . 49.0 t 63.29 133.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.553 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 24.8 m-85 -137.45 -160.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.403 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.28 128.74 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t -106.54 131.25 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 26' ' ' VAL . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 83.1 m95 -73.68 133.54 43.41 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 22.5 ttpp -56.52 -70.72 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.36 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.92 19.55 0.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.782 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 82.6 m95 -139.02 150.22 64.29 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 117.39 0.595 . . . . 0.0 111.592 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo -68.92 163.84 35.98 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.045 2.497 . . . . 0.0 111.717 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' B' ' 26' ' ' ARG . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' HE3' ' B' ' 23' ' ' LYS . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -67.13 -11.54 57.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -76.71 -42.4 41.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.297 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 2.6 mttt -69.77 -39.47 76.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.021 0.439 . . . . 0.0 109.856 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.8 mm-40 -68.38 -50.4 53.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.212 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 11.7 pt-20 -54.4 -37.32 64.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.391 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -62.73 -52.77 61.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.225 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HA ' ' HB3' ' A' ' 69' ' ' TYR . 42.8 mtp180 -47.79 -29.87 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.472 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 53.72 -85.88 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.812 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ARG . 44.2 t -126.2 -55.78 1.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.12 64.48 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.396 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 74.6 t80 -86.55 -14.77 41.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.969 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 59.86 -147.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.859 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 32.0 Cg_exo -58.31 112.8 1.29 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 121.983 1.788 . . . . 0.0 112.19 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -89.15 135.33 33.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.49 ' NZ ' ' HB3' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -84.06 1.95 41.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.124 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.91 -83.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.48 149.65 21.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . . . -87.69 147.33 25.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -92.44 -33.57 14.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.542 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 74.6 mmtt -141.39 -177.74 5.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.192 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -142.15 175.99 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.758 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -161.36 -162.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.59 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.3 ptp180 -124.3 164.77 18.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.97 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.115 179.124 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.52 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 6.0 p -124.12 -160.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.637 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.41 65.44 1.84 Allowed Pre-proline 0 C--N 1.332 -0.176 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.461 2.107 . . . . 0.0 112.299 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 mmt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.05 0.452 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 52.96 34.64 17.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.43 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -85.01 67.85 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.705 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.403 ' H ' ' H ' ' A' ' 5' ' ' ALA . 81.1 p -169.7 -12.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' A' ' 4' ' ' SER . . . -101.87 -35.04 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.391 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.41 -82.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -30.99 2.43 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.603 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -120.25 -161.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.168 0.509 . . . . 0.0 112.201 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.522 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -170.23 -38.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.259 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t 68.23 140.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.941 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -145.05 -164.31 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.607 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.2 100.9 9.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t -79.29 124.74 37.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 26' ' ' VAL . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 41' ' ' THR . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.3 m95 -68.28 129.54 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.3 ttpp -61.25 -57.44 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.568 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 17.27 3.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.371 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.6 m95 -143.57 154.17 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.995 0.397 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 8.9 Cg_exo -70.49 158.82 54.89 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.672 2.248 . . . . 0.0 111.659 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' ASP . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' CD1' HG22 ' A' ' 10' ' ' VAL . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.628 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.673 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.24 -8.78 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -42.31 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.168 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -68.16 -43.67 77.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.251 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 18.2 mm-40 -65.79 -54.09 31.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.636 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.3 pt-20 -47.7 -44.76 27.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.6 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 36.9 ttt180 -61.98 -46.41 89.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.765 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -76.39 -64.27 1.15 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.17 0.509 . . . . 0.0 109.872 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 45.0 mtp180 -45.83 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.012 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ARG . . . 174.56 -40.92 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.029 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -173.54 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.06 -143.97 10.7 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.93 129.73 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -105.18 -162.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.861 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.46 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 73.0 Cg_endo -74.31 117.49 5.01 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.991 1.794 . . . . 0.0 112.346 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -67.47 -21.21 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.692 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.36 96.83 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.501 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -76.11 113.82 14.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 111.27 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.4 73.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.92 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.106 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p 44.66 -94.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.636 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 51.5 mtpt -79.34 109.3 13.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.746 0.307 . . . . 0.0 110.399 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -143.05 166.08 25.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.055 0.455 . . . . 0.0 111.944 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.68 13.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -84.64 160.6 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.0 -179.704 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 73.5 m -153.31 -168.11 2.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.83 85.84 23.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.063 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.545 2.163 . . . . 0.0 112.267 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 121.152 0.501 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -94.57 -21.48 18.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.195 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -106.89 106.61 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -89.51 -171.62 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -24.74 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mm -45.23 -74.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.901 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.56 78.15 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.482 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.713 ' H ' ' HB2' ' B' ' 29' ' ' ALA . 44.2 mt-10 63.74 -179.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.526 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -157.02 -41.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.625 HG22 HD11 ' A' ' 49' ' ' LEU . 21.5 t 63.82 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.742 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 2.3 m-85 -151.42 -161.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -110.63 108.18 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.535 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 25' ' ' ALA . 2.2 t -88.04 125.65 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.807 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 28' ' ' TYR . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 26' ' ' VAL . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 21' ' ' VAL . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.649 ' CG ' HD13 ' A' ' 16' ' ' ILE . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.626 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.593 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 80.4 m95 -66.65 126.5 29.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 25.0 ttpt -60.62 -58.87 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.736 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.74 14.82 3.27 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.569 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.593 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 69.4 m95 -140.5 155.73 69.7 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 117.11 0.455 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.2 159.38 52.46 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.551 2.167 . . . . 0.0 111.367 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' HG21 ' A' ' 30' ' ' VAL . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.596 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASP . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.696 ' HB2' ' H ' ' B' ' 25' ' ' ALA . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' HG ' ' HG2' ' B' ' 23' ' ' LYS . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.21 -12.06 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.34 -39.78 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.83 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 1.2 mttm -69.62 -40.74 76.4 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.992 0.425 . . . . 0.0 110.631 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.197 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 9.7 pt-20 -61.26 -31.45 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.712 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -67.7 -51.91 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.283 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.62 -62.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.852 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -51.02 -59.46 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.19 31.3 3.5 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 0.0 111.495 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -85.62 -39.38 17.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.199 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.18 132.76 0.1 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.805 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -77.53 -34.65 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' HD3' ' H ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -94.68 -150.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.669 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 23.7 tptm . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.598 0.237 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 -167.42 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.534 2.156 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 58.06 70.77 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.98 -84.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 56.24 -88.12 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.297 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -123.49 138.79 54.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.97 115.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' B' ' 23' ' ' LYS . 44.3 p -65.0 -64.87 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -131.02 125.55 33.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.328 . . . . 0.0 110.375 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -106.15 -79.24 0.57 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.696 ' H ' ' HB2' ' A' ' 49' ' ' LEU . . . 63.69 139.86 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 111.484 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -105.48 147.25 28.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.547 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.402 HH23 ' HE2' ' A' ' 11' ' ' PHE . . . . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t 179.01 179.34 0.42 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' H ' ' A' ' 8' ' ' GLU . . . -138.61 102.63 7.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.437 2.091 . . . . 0.0 112.293 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.951 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 58.28 24.49 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.162 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 tp -168.96 72.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.749 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -173.08 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.99 137.31 10.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.685 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -66.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.744 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.4 -23.86 7.97 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.421 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.33 -178.66 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.165 0.507 . . . . 0.0 111.844 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -142.77 44.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.708 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 49' ' ' LEU . 24.9 t -44.51 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.14 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.81 -162.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.38 126.23 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t -103.88 123.14 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.723 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.65 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 57' ' ' TYR . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.648 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 26' ' ' VAL . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 30' ' ' VAL . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.648 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 89.6 m95 -75.16 137.59 41.43 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 4.7 ttpt -67.35 142.78 56.66 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.963 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.62 -11.13 3.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.256 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 91.9 m95 -107.74 149.5 39.05 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo -71.34 157.93 55.62 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.041 2.494 . . . . 0.0 111.594 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 10' ' ' VAL . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HB3' ' HE3' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 59' ' ' GLU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.671 ' HB2' HD12 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -70.32 -8.26 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 15.0 mt-10 -80.27 -44.31 19.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 5.5 mttt -68.87 -41.59 78.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 110.076 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.9 mm-40 -64.53 -52.06 59.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.498 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 12.8 pt-20 -52.59 -40.69 62.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.398 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -62.02 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.539 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.56 -62.04 1.71 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.166 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' GLU . 80.7 mtt180 -44.82 -27.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.736 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -44.07 -43.4 6.83 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.749 0.309 . . . . 0.0 111.655 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.4 m -135.17 -40.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.82 -58.69 0.56 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.568 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -129.78 97.99 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -152.4 -167.64 2.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.504 0.192 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.91 129.4 34.36 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.587 2.191 . . . . 0.0 112.388 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.26 89.19 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -112.68 101.03 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -143.64 -15.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.55 HD13 ' H ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -99.02 28.54 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.37 45.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -61.45 117.87 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.477 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HE3' ' HB3' ' A' ' 52' ' ' ARG . 18.9 mttp -78.84 165.82 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -145.55 153.57 41.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.04 162.28 39.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -96.59 151.26 19.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.397 -179.36 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.423 ' N ' ' HG2' ' B' ' 26' ' ' ARG . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.458 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 61.01 -176.86 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.042 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.7 74.93 75.27 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.572 2.181 . . . . 0.0 112.337 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.099 0.476 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.08 148.58 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.043 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.08 48.98 14.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -169.52 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.754 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 -59.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.75 -74.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.263 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 -72.0 2.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.12 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 9.8 mt-10 -132.98 -169.69 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 12.3 pt20 -158.34 -35.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.898 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 49' ' ' LEU . 28.1 t 62.86 147.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.623 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 16.1 m-85 -140.69 -142.47 0.15 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.301 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -127.0 114.32 17.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.442 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' B' ' 24' ' ' ALA . 6.9 t -89.06 122.95 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.649 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 26' ' ' VAL . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' HG22 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 15' ' ' SER . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 88.3 m95 -70.46 132.67 45.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -62.32 -54.16 44.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.247 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.0 19.68 4.24 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.974 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 83.6 m95 -145.42 153.4 51.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 111.253 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.18 153.48 66.95 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.83 2.353 . . . . 0.0 111.438 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' B' ' 23' ' ' LYS . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.676 ' HB2' HD12 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.1 -11.89 51.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.5 -43.26 15.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.211 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -66.1 -44.02 85.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.961 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . 19.8 mm-40 -63.6 -55.96 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.516 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 9.5 pt-20 -47.04 -38.72 11.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.298 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -59.36 -54.86 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.045 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.36 -62.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.257 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' HB3' ' A' ' 61' ' ' GLU . 26.3 mmm180 -35.78 -41.23 0.21 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.971 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.58 -80.94 0.01 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.292 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' ARG . 59.6 m -136.3 112.45 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.67 53.3 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.544 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.64 145.0 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.742 0.306 . . . . 0.0 110.644 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' H ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -156.05 -160.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.249 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 88.5 tttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.918 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.5 133.58 20.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.45 2.1 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -107.13 139.23 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -145.57 138.56 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -128.6 20.44 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -14.08 58.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.81 124.73 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -102.98 -73.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.205 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER 62.7 127.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.517 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -142.08 162.43 35.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.871 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -132.51 -178.09 4.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.667 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.74 -87.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 121.148 0.499 . . . . 0.0 110.206 -178.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 33.4 t -163.85 157.25 18.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.167 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.647 ' H ' ' HD2' ' B' ' 30' ' ' PRO . . . -164.17 -53.02 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.625 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.647 ' HD2' ' H ' ' B' ' 29' ' ' ALA . 32.2 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.046 1.831 . . . . 0.0 112.252 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -38.16 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.76 78.5 0.12 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 p -153.67 -57.53 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.53 -32.23 4.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.7 mt 52.24 82.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 94.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.529 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.37 178.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.425 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -174.37 -42.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 50.8 t 64.39 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.108 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HE2' HH23 ' B' ' 27' ' ' MLY . 10.7 m-85 -140.91 -160.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.348 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.94 116.08 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 11.9 t -91.28 121.31 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 26' ' ' VAL . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CG ' HD13 ' A' ' 16' ' ' ILE . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.6 m95 -64.82 131.28 46.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.2 ttpp -60.45 -59.22 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.71 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.16 19.27 3.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.585 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 73.5 m95 -142.71 153.55 61.63 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 117.178 0.489 . . . . 0.0 111.466 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 9.8 Cg_exo -70.21 161.2 46.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.843 2.362 . . . . 0.0 111.628 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' B' ' 26' ' ' ARG . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HG3' ' HE2' ' B' ' 23' ' ' LYS . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' A' ' 60' ' ' LYS . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 -67.18 -9.91 45.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -84.46 -41.46 16.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -67.91 -41.88 81.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.034 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' ARG . 57.8 mt-10 -65.84 -53.38 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.38 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 9.7 pt-20 -48.62 -41.24 30.41 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.289 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.6 mmt180 -61.35 -52.49 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.681 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.72 -64.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' GLU . 15.9 mmt180 -37.74 -53.76 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 93.54 1.13 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.311 0.577 . . . . 0.0 111.08 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -153.25 -12.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.25 77.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -126.42 -69.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.881 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 14.8 ttp180 -153.42 -143.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.442 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.6 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.802 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 -13.14 34.62 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.47 2.114 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HD3' HD22 ' B' ' 20' ' ' LEU . 29.1 ttm180 -156.61 129.87 8.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.785 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -134.23 145.58 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 58.91 92.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' B' ' 17' ' ' ARG . 61.3 tp -140.6 98.93 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.33 100.11 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.625 HG22 ' HG2' ' B' ' 23' ' ' LYS . 65.7 m -92.52 -74.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.625 ' HG2' HG22 ' B' ' 22' ' ' THR . 46.7 mmtm -139.26 -163.0 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.488 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -147.82 144.37 28.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 111.968 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -128.42 -167.17 1.73 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.525 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.683 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.7 ptp180 -119.84 166.7 12.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.611 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.452 HH23 ' HE2' ' A' ' 11' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.997 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.8 p -59.13 90.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.055 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.46 156.05 0.12 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.477 2.118 . . . . 0.0 112.264 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.964 0.411 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.7 -4.19 26.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 4' ' ' SER . 92.5 mt -63.45 122.27 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 3' ' ' LEU . 32.4 t 74.05 -4.84 2.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.898 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.43 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.53 118.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.818 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 76.83 0.22 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.671 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 35.3 mt-10 60.68 -178.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -163.3 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.645 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 10.6 t 65.15 139.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.603 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.8 -101.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.538 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.23 102.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 15' ' ' SER . 40.7 t -85.28 123.68 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.871 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.636 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 13' ' ' VAL . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 28' ' ' TYR . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 26' ' ' VAL . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.656 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 74.9 m95 -63.47 133.04 53.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.636 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 23.6 ttpt -54.27 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.207 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.7 25.74 1.42 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.963 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.656 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 84.3 m95 -141.8 151.47 59.89 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.322 0.561 . . . . 0.0 111.368 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 12.2 Cg_exo -69.48 160.09 51.11 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.984 2.456 . . . . 0.0 111.839 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 10' ' ' VAL . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' H ' HG22 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.68 -12.95 62.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -80.54 -39.01 28.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.232 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -68.57 -40.45 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.778 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.8 mm-40 -64.76 -53.61 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.204 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.09 -35.39 59.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -64.34 -48.01 77.21 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.7 -65.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLU . 48.3 mtp180 -44.22 -31.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.302 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 52.24 -88.81 0.02 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.032 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 t -164.08 -24.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.76 147.1 18.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.666 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -71.33 -21.66 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.982 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.622 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 21.6 ttp180 -97.28 -162.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 62.6 tttp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.563 0.22 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.09 -33.49 74.05 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.597 2.198 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -163.29 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 57.46 -176.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.398 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -77.59 -71.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 76.3 mt 59.8 80.66 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.21 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.7 p -79.39 -114.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.277 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER 53.36 82.56 0.08 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -126.53 -178.94 4.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.13 162.8 36.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.42 171.12 10.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.53 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 3.7 m -134.53 -79.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.645 0.259 . . . . 0.0 111.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.48 151.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.341 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.513 2.142 . . . . 0.0 112.391 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.031 0.444 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -105.29 134.07 49.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -92.34 -35.94 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.668 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -159.46 -167.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -56.07 -47.1 78.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt 52.29 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.024 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 141.85 -61.71 0.53 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.363 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 63.6 159.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.078 0.466 . . . . 0.0 111.464 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.94 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.195 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 49' ' ' LEU . 44.7 t 65.03 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.141 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -143.92 -169.23 3.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HB1' ' HE2' ' A' ' 33' ' ' LYS . . . -100.49 128.7 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.793 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t -105.94 127.96 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 28' ' ' TYR . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.58 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HE3' HG13 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 26' ' ' VAL . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 21' ' ' VAL . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CG ' HD13 ' A' ' 16' ' ' ILE . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.8 m95 -67.56 134.83 51.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 14.4 mtmt -43.73 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 39.57 1.45 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.295 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -141.87 149.67 53.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.207 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo -81.63 161.7 19.19 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 123.23 2.62 . . . . 0.0 111.422 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 10' ' ' VAL . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -69.37 -8.53 47.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -85.23 -36.61 20.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 7.8 mttt -66.22 -44.22 84.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 21.5 pt-20 -62.17 -48.94 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.851 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 35.8 mt-10 -46.66 -65.95 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.113 0.482 . . . . 0.0 110.482 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -58.6 -26.13 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.947 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -96.87 -67.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.7 ptt180 -71.82 -44.23 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -77.05 1.46 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.828 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 p -168.66 117.6 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.307 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.88 -85.77 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -106.23 95.55 5.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.651 0.262 . . . . 0.0 110.505 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER 48.35 -159.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.531 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.461 0.172 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 15' ' ' ALA . 15.8 Cg_endo -57.55 114.49 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.042 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -126.8 -47.4 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -167.58 130.32 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.314 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -140.53 -92.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.546 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.9 mt 46.96 92.39 0.01 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 111.813 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.69 107.58 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.602 HG23 ' HG3' ' B' ' 23' ' ' LYS . 3.3 t -90.4 -40.26 12.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' B' ' 22' ' ' THR . 48.8 mttp -86.85 117.1 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -151.66 168.65 24.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.447 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -164.92 161.27 19.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 ptp180 -89.97 158.81 17.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.046 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 179.75 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.9 t 60.12 92.18 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.26 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.7 152.83 0.12 Allowed Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.508 2.139 . . . . 0.0 112.282 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.028 0.442 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.69 -25.93 12.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.145 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 78.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -102.79 -33.72 9.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.03 -26.81 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 HG22 ' HB2' ' A' ' 8' ' ' GLU . 67.4 mt -62.14 117.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.17 70.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.656 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 39.1 mt-10 -40.76 139.26 0.86 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.713 0.292 . . . . 0.0 111.389 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' H ' ' H ' ' A' ' 10' ' ' VAL . 4.8 pp0? -163.14 -4.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.677 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.665 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 16.7 t 65.72 148.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.02 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.03 -103.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.589 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.81 113.59 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.778 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 12.2 t -90.18 130.4 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 13' ' ' VAL . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' HG13 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 26' ' ' VAL . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.757 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 97.7 m95 -92.53 137.46 32.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 35' ' ' TRP . 23.0 mtmt -57.99 133.15 55.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.403 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -18.12 2.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.662 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.7 m95 -97.42 147.25 32.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo -72.42 156.95 53.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.099 2.533 . . . . 0.0 111.8 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.757 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 10' ' ' VAL . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 28' ' ' TYR . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.71 -11.25 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -78.21 -46.9 19.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.089 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 2.8 mtpp -68.25 -41.81 80.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 9.3 mm-40 -66.73 -50.76 61.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.709 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.3 -37.48 62.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.742 0.306 . . . . 0.0 110.465 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -63.05 -53.88 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -82.42 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.339 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.6 mtp180 -48.58 -35.7 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.13 -88.56 0.02 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.116 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -140.95 -60.46 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.315 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -79.89 -47.74 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.003 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 38.7 ttt180 -142.47 -145.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.664 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 63.5 tttp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.502 0.192 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.61 -29.71 36.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.412 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -98.68 -50.53 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -74.51 143.99 44.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -129.32 24.89 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 55.17 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.27 6.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -166.16 16.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.51 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 60.5 mttp 55.61 -96.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.16 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.778 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 63.53 159.01 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.175 0.512 . . . . 0.0 112.208 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.56 174.12 15.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.665 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 3.3 ptp180 -89.19 147.4 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.31 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.168 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 18.1 t -83.07 49.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.363 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' B' ' 30' ' ' PRO . . . -80.37 -51.03 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' B' ' 29' ' ' ALA . 72.8 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.06 1.84 . . . . 0.0 112.405 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.957 0.408 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 63.17 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.84 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.68 91.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -166.04 -53.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.02 -26.1 18.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.508 HG23 ' H ' ' B' ' 29' ' ' ALA . 54.4 mt -62.16 96.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.49 12.23 70.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 55.3 -178.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.46 . . . . 0.0 111.429 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -178.0 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.776 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 41.8 t 65.52 146.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.576 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.434 ' CD2' HH12 ' B' ' 27' ' ' MLY . 19.2 m-85 -134.85 -109.48 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.545 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.34 109.72 0.45 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.71 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 24.7 t -87.61 125.51 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.592 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' HG12 ' A' ' 13' ' ' VAL . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 26' ' ' VAL . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 21' ' ' VAL . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 54' ' ' VAL . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 91.0 m95 -66.47 133.32 50.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -63.44 135.33 56.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.463 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.14 -25.13 4.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.92 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 88.1 m95 -91.46 150.28 40.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo -80.31 157.51 22.76 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 123.05 2.5 . . . . 0.0 111.328 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' B' ' 26' ' ' ARG . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HB3' ' NZ ' ' B' ' 23' ' ' LYS . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.12 -12.82 58.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -81.89 -34.56 29.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.918 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -69.0 -42.08 76.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.29 -47.24 68.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.38 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 10.9 pt-20 -62.41 -33.78 75.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.913 0.387 . . . . 0.0 110.468 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -63.93 -52.05 61.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.372 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.93 -64.26 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.024 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -51.25 -59.74 3.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.2 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.53 16.07 0.4 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.908 0.385 . . . . 0.0 111.766 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -168.65 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.12 -21.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -88.5 147.32 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.68 0.276 . . . . 0.0 110.742 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttt180 -70.76 -147.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.671 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 86.3 tttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.532 0.206 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.23 142.78 86.98 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.597 2.198 . . . . 0.0 112.208 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . 5.8 tpm_? -164.03 -58.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.429 ' HE2' HD21 ' B' ' 20' ' ' LEU . 20.9 ptmt -114.4 138.58 50.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.65 97.8 8.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.434 HD13 ' HE2' ' B' ' 23' ' ' LYS . 78.8 mt -93.13 -1.12 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.65 12.69 3.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.27 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m 64.43 114.49 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 52' ' ' ARG . 19.4 mttm -67.64 -47.46 69.51 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.33 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.71 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 62.3 160.11 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -156.74 178.77 9.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.268 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.1 ptp180 -102.91 163.53 12.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.79 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.483 ' CD ' HG21 ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.5 p 59.37 169.07 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.195 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.508 ' H ' HG23 ' A' ' 6' ' ' ILE . . . -63.33 -52.43 61.0 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.61 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.993 0 C-N-CA 122.057 1.838 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ttm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.46 96.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.459 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -54.34 117.81 3.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 6' ' ' ILE . 87.2 p -148.06 144.11 27.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' SER . . . 72.19 -26.26 0.18 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' H ' ' C ' ' A' ' 4' ' ' SER . 49.5 mm -52.1 -62.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.479 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.65 -68.63 3.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.128 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 7.9 mt-10 -130.53 175.43 8.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.0 110.624 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -163.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.613 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 22.4 t 65.56 142.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -134.87 -101.82 0.23 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.646 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.87 111.09 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 41.0 t -90.71 121.08 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.966 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 13' ' ' VAL . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 26' ' ' VAL . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.631 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' NZ ' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.607 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 85.0 m95 -63.93 128.73 37.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -58.67 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.05 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.31 18.75 2.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.611 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.607 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 74.6 m95 -141.64 153.37 65.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 117.154 0.477 . . . . 0.0 111.092 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.53 156.91 64.17 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.716 2.278 . . . . 0.0 111.451 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD21 ' NE ' ' B' ' 26' ' ' ARG . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -67.03 -17.16 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -38.19 66.48 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -71.01 -36.38 72.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.651 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HB3' ' HD3' ' A' ' 65' ' ' ARG . 46.5 mt-10 -64.59 -54.32 33.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.71 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.98 -32.2 65.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -64.6 -49.68 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.6 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 62.4 mtp180 -42.08 -50.86 4.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.59 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 50.43 32.39 6.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.241 0.543 . . . . 0.0 111.237 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -141.63 112.78 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.35 -98.6 0.12 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.283 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.66 -39.84 11.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.5 ttt180 53.2 -163.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.036 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 28.6 tptp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.587 0.232 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.86 138.33 48.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.461 2.107 . . . . 0.0 112.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -125.58 -26.47 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -173.83 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 55.04 79.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -104.2 -34.91 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -94.03 133.84 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB2' ' HG ' ' A' ' 53' ' ' LEU . 74.5 mmtt -92.14 176.61 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.558 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -146.33 160.48 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 111.813 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.87 177.34 7.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.693 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.622 ' NE ' HD21 ' A' ' 49' ' ' LEU . 3.6 ptp180 -104.29 142.66 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.354 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.134 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 69.0 m -83.0 137.4 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.19 130.65 23.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD3' ' HG2' ' A' ' 8' ' ' GLU . 67.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.283 1.989 . . . . 0.0 112.282 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 121.024 0.44 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.62 73.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.176 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -77.99 104.1 8.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -159.08 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.86 -73.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.498 HG21 ' NE2' ' A' ' 9' ' ' GLN . 75.9 mt 58.59 101.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.682 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.22 79.49 1.04 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.833 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.4 163.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.089 0.471 . . . . 0.0 111.251 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.498 ' NE2' HG21 ' A' ' 6' ' ' ILE . 3.2 pt20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 60.0 t 64.64 143.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.248 0.546 . . . . 0.0 111.863 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.69 -167.93 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.306 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.78 128.6 52.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 15' ' ' SER . 25.3 t -102.46 114.99 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.188 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 13' ' ' VAL . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 26' ' ' VAL . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 69.7 m95 -74.68 137.08 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 1.4 tmmt? -67.85 140.45 56.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.446 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.46 -16.09 5.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.094 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -102.1 149.14 36.31 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -79.37 157.82 25.83 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 123.004 2.469 . . . . 0.0 111.594 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 17' ' ' ARG . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' NE ' ' B' ' 26' ' ' ARG . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.63 ' HB2' HD12 ' A' ' 16' ' ' ILE . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -68.74 -12.56 61.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -78.31 -42.98 29.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -69.16 -42.58 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.926 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.5 mm-40 -66.14 -52.54 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.273 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 10.5 pt-20 -51.07 -40.84 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 16.0 mmt180 -58.37 -53.9 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.73 -63.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.409 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' GLU . 54.4 mtp180 -45.77 -21.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.303 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -42.21 -49.44 4.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.712 0.292 . . . . 0.0 111.509 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 t -102.48 -53.25 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.997 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.6 -22.88 8.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -82.87 99.89 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -96.72 -164.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 52.7 Cg_exo -55.04 125.85 20.58 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.97 1.78 . . . . 0.0 112.419 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 57.36 -164.48 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -56.78 150.5 16.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.009 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -145.82 153.69 41.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 20' ' ' LEU . 6.7 mp -112.62 1.81 15.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.16 52.58 7.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.344 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -85.7 -6.37 59.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' B' ' 23' ' ' LYS . 3.5 mppt? -68.57 146.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.764 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.79 168.28 16.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.406 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -153.57 -173.43 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.864 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.601 ' NE ' HD21 ' A' ' 49' ' ' LEU . 8.8 ptp180 -118.18 159.52 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.595 179.541 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.7 m -133.6 149.44 51.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.33 2.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.931 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.419 2.079 . . . . 0.0 112.312 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.949 0.404 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 60.32 174.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.508 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.5 tp 54.47 74.04 0.36 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -158.15 -55.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.57 11.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.56 HG21 ' HB2' ' B' ' 28' ' ' SER . 48.2 mt -55.92 124.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.204 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.89 90.35 0.49 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.115 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.72 129.69 14.1 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 120.592 0.234 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' O ' ' HB3' ' B' ' 26' ' ' ARG . 12.6 pt20 -145.43 -61.63 0.34 Allowed 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.263 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 86.5 t -158.62 160.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.896 0.379 . . . . 0.0 111.542 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' N ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -152.57 -134.79 0.05 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.525 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 110.38 3.67 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t -103.16 129.53 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 26' ' ' VAL . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB3' HG23 ' A' ' 16' ' ' ILE . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 84.0 m95 -77.75 146.12 36.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.12 137.48 57.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.59 -4.56 2.07 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.928 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.527 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.0 m95 -104.91 146.84 33.44 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 6.5 Cg_exo -74.24 160.54 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 111.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 36' ' ' PRO . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HB3' ' HG3' ' B' ' 26' ' ' ARG . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 10' ' ' VAL . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.737 ' HB2' HD12 ' A' ' 16' ' ' ILE . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 61' ' ' GLU . 23.6 mm-40 -66.3 -13.68 60.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -38.24 21.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.609 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -70.59 -41.05 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.53 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 12.7 pt-20 -68.65 -48.55 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.249 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 11.7 pt-20 -59.66 -38.84 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -66.41 -44.96 81.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.752 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -75.78 -60.94 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -50.58 -25.3 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.731 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -46.93 -52.75 13.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.7 0.286 . . . . 0.0 111.517 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -161.46 -59.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.84 176.16 20.83 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.577 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.58 155.92 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 49.63 -153.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.56 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.816 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.6 0.238 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.99 85.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.425 2.083 . . . . 0.0 112.157 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -98.28 162.77 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -84.25 125.72 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -63.87 151.86 41.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.03 -172.5 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 171.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -129.51 133.6 47.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.008 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.488 ' HB2' ' HG ' ' A' ' 53' ' ' LEU . 13.8 mmtp -99.38 148.16 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.612 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.546 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -130.21 178.28 6.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.119 0.485 . . . . 0.0 111.925 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.99 159.53 32.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.734 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 7.2 ptp180 -73.38 169.6 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.402 HH23 ' HE2' ' A' ' 11' ' ' PHE . . . . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.56 ' HB2' HG21 ' A' ' 6' ' ' ILE . 96.6 p -161.23 48.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.5 153.88 0.12 Allowed Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.439 2.093 . . . . 0.0 112.438 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 58.64 43.02 19.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 55.96 69.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -114.32 -67.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.42 -80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.733 HG23 ' HB2' ' B' ' 29' ' ' ALA . 41.4 mt 53.38 92.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.421 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.31 -29.94 60.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.057 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 6' ' ' ILE . 47.8 mt-10 60.86 163.18 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.948 0.404 . . . . 0.0 111.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 12.0 pt20 178.79 -62.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.434 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 49' ' ' LEU . 21.9 t 58.39 167.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.956 0.408 . . . . 0.0 111.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' N ' HG12 ' A' ' 10' ' ' VAL . 97.0 m-85 -121.5 -98.71 0.44 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.666 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.61 113.7 2.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.847 0.356 . . . . 0.0 111.028 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' B' ' 25' ' ' ALA . 2.8 t -84.92 130.16 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.758 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.684 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 98.5 m95 -65.63 140.07 58.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -53.43 -72.92 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.107 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.31 26.16 1.05 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.432 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.684 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 91.9 m95 -142.05 150.1 54.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 0.0 111.251 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo -80.81 154.75 20.25 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 123.038 2.492 . . . . 0.0 111.329 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 36' ' ' PRO . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' HB3' ' B' ' 26' ' ' ARG . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 25' ' ' ALA . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 10' ' ' VAL . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' HE ' ' HD3' ' B' ' 23' ' ' LYS . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.552 ' HB2' HD12 ' A' ' 16' ' ' ILE . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.22 -13.37 62.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -37.32 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.91 -40.89 65.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.59 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 13.0 pt-20 -68.05 -49.39 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.141 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.4 pt-20 -56.51 -40.24 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.1 mmm180 -61.15 -54.11 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.51 -62.44 1.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.64 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.236 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.95 16.43 0.23 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.986 0.422 . . . . 0.0 111.502 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -176.71 -164.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.331 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.7 -150.02 18.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.71 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -82.35 149.95 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 0.0 110.727 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -70.09 -169.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.483 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.654 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 93.6 Cg_endo -79.09 -15.43 12.96 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.049 1.833 . . . . 0.0 112.347 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -157.84 82.83 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.727 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -162.58 -22.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -132.71 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.68 -64.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.76 -64.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p 50.97 -171.31 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.588 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HD3' ' HE ' ' A' ' 52' ' ' ARG . 23.3 mtmm -131.39 73.84 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.413 ' HB1' ' CG1' ' A' ' 10' ' ' VAL . . . -75.56 153.34 37.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.353 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 48' ' ' ILE . . . -167.3 116.52 0.83 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER 56.33 -168.24 0.1 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 177.156 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.521 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . . . . . . . . 0 CA--C 1.519 -0.223 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.432 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.537 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 24.7 p -112.31 -78.3 0.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.729 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.733 ' HB2' HG23 ' A' ' 6' ' ' ILE . . . -60.48 145.19 87.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.05 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 122.421 2.081 . . . . 0.0 112.221 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.998 0.427 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.82 161.34 15.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.108 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 30' ' ' PRO . 5.0 tt -138.45 107.29 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -154.65 -18.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.747 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.97 -28.31 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.93 105.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.07 72.46 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' B' ' 26' ' ' ARG . 42.8 mt-10 64.45 153.28 0.05 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.112 0.482 . . . . 0.0 111.527 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.695 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 1.9 pt20 -151.22 -75.31 0.15 Allowed 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.747 HG22 HD13 ' A' ' 49' ' ' LEU . 75.0 t -155.08 160.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -151.22 -138.01 0.08 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.28 100.52 2.9 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.607 HG23 ' HA ' ' B' ' 24' ' ' ALA . 8.9 t -86.73 132.0 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.712 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 26' ' ' VAL . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 22' ' ' ARG . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 21' ' ' VAL . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 30' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.9 m95 -73.17 134.79 44.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -56.13 -67.32 0.31 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.821 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.53 25.17 1.4 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.496 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.1 m95 -144.13 152.96 55.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 111.179 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.675 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo -81.07 158.89 20.63 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.174 2.583 . . . . 0.0 111.4 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.436 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.613 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD13 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.09 -13.19 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -74.26 -46.28 42.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.945 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 4.9 mtpt -69.17 -40.2 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.5 mm-40 -65.29 -50.65 64.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.178 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.78 -36.7 62.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -59.84 -55.29 36.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.173 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -83.02 -65.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.417 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' GLU . 52.7 mtp180 -45.24 -33.11 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.666 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.62 -82.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' ARG . 48.5 t -100.8 -68.67 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.732 0.301 . . . . 0.0 110.8 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.96 -133.24 1.97 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.835 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.778 0.323 . . . . 0.0 111.188 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttp180 -73.15 -164.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.7 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.449 0.166 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.94 116.13 2.58 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.567 2.178 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -100.43 -10.4 21.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.994 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.89 64.79 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.956 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -124.11 -38.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.64 100.56 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.707 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.68 137.54 56.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -118.31 -26.88 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 52' ' ' ARG . 19.1 mttt -127.42 139.0 53.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.607 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -142.44 159.41 42.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.738 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.3 -172.59 2.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 94.7 mtt180 -89.28 -90.65 0.14 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.588 HH22 ' HB3' ' B' ' 28' ' ' SER . . . . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.738 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.588 ' HB3' HH22 ' B' ' 27' ' ' MLY . 45.6 t -44.02 134.83 4.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 111.343 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -72.88 -50.76 6.89 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.74 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.484 ' HB3' HD13 ' A' ' 3' ' ' LEU . 57.7 Cg_endo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 121.923 1.749 . . . . 0.0 112.276 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.962 0.411 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -111.19 70.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.998 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt 56.77 -88.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p 67.67 -3.96 1.03 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.253 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.83 24.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.603 HG22 ' HG3' ' A' ' 8' ' ' GLU . 32.4 mt 48.13 94.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.77 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.68 -20.22 58.54 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.071 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.736 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 42.6 mt-10 57.09 -178.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.346 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 10.0 pt20 -176.72 53.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 49' ' ' LEU . 26.4 t -52.93 137.6 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.79 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -136.01 -129.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.572 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.42 108.37 8.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.661 0.267 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 30' ' ' VAL . 33.6 t -78.88 132.49 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.737 HG12 HG23 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 26' ' ' VAL . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.444 ' CE2' HG22 ' A' ' 54' ' ' VAL . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 90.6 m95 -94.0 127.45 39.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -61.53 132.87 54.76 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.67 -28.17 3.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 74.8 m95 -90.04 152.27 46.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.638 0.256 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 11.3 Cg_exo -69.78 158.15 57.92 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.88 2.387 . . . . 0.0 111.9 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' CG ' HH11 ' B' ' 26' ' ' ARG . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 10' ' ' VAL . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.619 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 61' ' ' GLU . 15.4 mt-10 -66.95 -9.54 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.73 -37.92 22.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.236 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -68.81 -44.99 72.37 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.974 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 8.2 pt-20 -64.34 -61.35 2.29 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.422 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 12.8 pt-20 -41.18 -46.4 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -54.43 -48.46 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.303 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.06 -64.61 1.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.423 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.766 ' HG3' ' H ' ' A' ' 66' ' ' ALA . 16.7 ptt180 -58.47 -67.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.766 ' H ' ' HG3' ' A' ' 65' ' ' ARG . . . -66.07 -13.96 60.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.729 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.4 t 80.99 -10.58 1.21 Allowed 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 123.537 0.523 . . . . 0.0 110.087 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.91 -116.34 3.26 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.867 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.3 t80 50.09 -90.83 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.724 0.297 . . . . 0.0 111.587 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 14.0 tpp180 -159.53 -144.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 5.0 tppp? . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.549 0.214 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.71 34.43 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.602 2.201 . . . . 0.0 112.229 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . 2.0 mmp_? -98.19 -44.89 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -121.98 -50.21 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.49 129.87 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.255 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.22 90.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.194 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.13 85.51 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -104.84 -73.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.402 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 37.9 mtmm -140.16 135.03 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.236 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -165.3 177.67 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.51 164.91 10.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.016 0.436 . . . . 0.0 111.688 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -84.14 164.01 19.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.276 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.475 ' N ' ' HG2' ' B' ' 26' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.331 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.736 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 6.9 t -82.15 -86.07 0.1 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' B' ' 26' ' ' ARG . . . 61.77 162.67 0.11 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.31 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 29' ' ' ALA . 77.5 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 112.552 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.039 0.447 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -106.5 -0.85 23.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.38 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -143.41 60.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -160.12 -36.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.44 138.44 6.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG22 ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -126.82 105.2 13.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.22 12.85 67.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.888 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG2' ' NH2' ' B' ' 26' ' ' ARG . 19.5 mt-10 54.82 -173.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' B' ' 27' ' ' MLY . 12.1 pt20 -177.13 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.613 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 49' ' ' LEU . 45.8 t 63.88 136.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 121.149 0.5 . . . . 0.0 111.912 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 3.3 m-85 -143.14 -161.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.539 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -112.4 118.04 34.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 15' ' ' SER . 12.0 t -94.34 124.57 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.719 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.5 ' N ' HG12 ' A' ' 13' ' ' VAL . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.656 HD12 ' HB2' ' A' ' 57' ' ' TYR . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 26' ' ' VAL . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 59.6 m95 -69.55 128.11 35.35 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 22.7 ttpp -60.47 -59.86 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.888 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.97 18.89 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.612 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 68.2 m95 -141.83 156.6 65.67 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.263 0.532 . . . . 0.0 111.578 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.16 145.6 98.55 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.927 2.418 . . . . 0.0 111.42 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' OE2' ' HB1' ' B' ' 25' ' ' ALA . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 28' ' ' TYR . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' B' ' 26' ' ' ARG . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' B' ' 24' ' ' ALA . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.656 ' HB2' HD12 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 15.7 mt-10 -65.8 -9.38 28.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.38 -37.61 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.691 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -65.92 -43.92 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.735 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 10.9 pt-20 -62.28 -54.81 35.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.208 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 36.4 mt-10 -43.58 -60.21 1.86 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.026 0.441 . . . . 0.0 110.64 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -54.62 -31.22 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.736 -179.26 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.09 -67.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.647 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 16.2 ptt180 -65.57 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.647 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . -74.98 1.71 12.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.257 -178.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.2 m -129.27 1.43 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.015 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.99 -142.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.424 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.55 103.42 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.36 -162.84 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.071 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.43 0.157 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 24.7 Cg_exo -63.27 114.26 2.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.502 2.135 . . . . 0.0 112.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -107.62 -175.76 2.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm 57.88 83.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.41 ' HB2' HD23 ' B' ' 20' ' ' LEU . 10.1 pt20 -159.97 -51.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 19' ' ' GLN . 0.6 OUTLIER -170.64 137.44 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.76 179.395 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.44 -33.24 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m 65.91 -77.51 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.601 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? 65.58 111.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.177 0.513 . . . . 0.0 111.326 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.434 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -158.03 170.3 22.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' OE2' ' A' ' 43' ' ' GLU . . . -161.43 171.48 18.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.261 0.553 . . . . 0.0 112.39 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 49' ' ' LEU . 14.0 ptm180 -107.54 144.88 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.148 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' MLY . . . . . 0.451 ' HB2' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 6' ' ' ILE . 41.7 t 65.69 -86.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.031 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.67 148.58 43.34 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.445 2.097 . . . . 0.0 112.368 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -108.13 88.92 2.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.046 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 tp 55.99 66.01 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 6' ' ' ILE . 77.8 p -170.65 159.85 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' SER . . . 72.66 -26.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.061 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' H ' ' C ' ' A' ' 4' ' ' SER . 59.1 mt -59.49 -63.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.93 105.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.243 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 1.7 mt-10 -64.72 129.7 40.76 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 120.483 0.182 . . . . 0.0 111.018 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 2.8 pp0? 171.39 108.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 26' ' ' ARG . 15.8 m -141.15 -119.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.49 ' H ' HG23 ' A' ' 10' ' ' VAL . 27.3 m-85 -107.93 -167.28 1.23 Allowed 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.552 0.691 . . . . 0.0 112.399 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.05 129.74 53.41 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.886 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.5 t -90.59 128.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 26' ' ' VAL . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.636 ' CG ' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 96.4 m95 -72.84 131.46 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 20.7 ttpt -62.54 -56.21 20.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.88 19.49 4.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.155 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.0 m95 -145.14 154.44 54.23 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-N 116.948 0.374 . . . . 0.0 111.593 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 12.5 Cg_exo -70.05 156.95 61.36 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.849 2.366 . . . . 0.0 111.523 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.462 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.485 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 28' ' ' TYR . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' B' ' 26' ' ' ARG . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 -67.24 -10.51 51.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -82.1 -45.61 14.98 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.477 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 2.4 mttt -69.63 -39.94 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.066 0.46 . . . . 0.0 110.238 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.3 mm-40 -66.04 -53.65 35.78 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.132 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 11.0 pt-20 -50.92 -42.99 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.569 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 22.8 mmt180 -65.22 -53.91 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.59 -61.85 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.7 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.5 mtp180 -42.36 -44.86 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.894 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 67' ' ' SER . . . -59.74 -41.72 91.57 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.208 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.2 t 73.98 6.77 4.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.959 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.28 -178.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.98 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -52.86 149.87 5.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 1.2 tpp180 -72.41 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.317 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 16.8 tppt? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.97 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.621 0.248 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.1 133.75 21.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.547 2.165 . . . . 0.0 112.363 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -75.84 -40.29 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.642 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -164.47 115.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -144.6 82.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.737 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 20' ' ' LEU . 2.7 mm? -81.52 121.93 26.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 -174.66 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.7 m 63.53 113.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.299 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.565 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 65.8 mttt -79.43 164.34 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.453 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.578 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -171.45 168.77 6.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 0.0 111.794 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 49' ' ' LEU . . . -152.57 147.81 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.847 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.684 ' HB3' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -88.33 137.98 31.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 112.418 -178.807 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.449 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 65.2 73.76 0.4 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.702 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.87 151.26 0.11 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.471 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo . . . . . 0 C--O 1.248 0.975 0 C-N-CA 122.515 2.144 . . . . 0.0 112.243 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 57.27 72.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.014 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' H ' ' H ' ' A' ' 4' ' ' SER . 29.1 tp -167.79 -7.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.411 ' H ' ' H ' ' A' ' 3' ' ' LEU . 25.4 m -134.31 -43.13 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.68 -69.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.53 73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.644 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 56.95 -172.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -171.79 -38.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.677 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 18.5 t 64.1 144.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.791 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.13 -107.5 0.17 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 100.61 0.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.133 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.6 t -79.01 125.42 38.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.113 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 57' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.916 HG12 ' OE2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 93.9 m95 -65.96 130.04 41.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -58.36 -60.45 3.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.922 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.82 20.59 1.78 Allowed Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.468 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.8 m95 -144.46 150.84 49.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 117.006 0.403 . . . . 0.0 111.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 15.5 Cg_exo -70.16 156.92 61.19 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.019 2.479 . . . . 0.0 111.605 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CB ' ' A' ' 36' ' ' PRO . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.916 ' OE2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 50' ' ' ASP . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HG22 ' A' ' 10' ' ' VAL . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB2' ' HG2' ' B' ' 23' ' ' LYS . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 59' ' ' GLU . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.17 -14.49 63.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 30.3 mt-10 -76.37 -47.51 23.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.264 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.792 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.58 -50.27 67.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.35 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 59' ' ' GLU . 1.5 pt-20 -51.98 -33.83 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.554 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -65.6 -56.74 10.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.394 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.01 -63.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.02 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -47.96 -43.05 29.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.434 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 46.04 -91.83 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.905 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -136.53 -71.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.648 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.2 -162.68 12.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.624 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -68.87 143.59 54.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.791 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . 3.0 tpt180 47.89 -159.9 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.585 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.9 -179.801 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.607 0.241 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.95 133.17 48.88 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.64 2.227 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' B' ' 18' ' ' LYS . 13.1 ttm180 63.11 163.08 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.492 ' N ' ' HG2' ' B' ' 17' ' ' ARG . 59.5 mttm 61.54 175.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.266 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 62.15 -86.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.203 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 20' ' ' LEU . 5.9 mp -110.82 13.87 22.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.79 -178.89 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.271 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -100.44 145.01 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -90.94 153.47 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.983 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.506 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -164.75 178.76 7.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.487 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -160.18 164.23 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.02 177.98 5.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.706 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.406 ' N ' HH21 ' B' ' 26' ' ' ARG . 69.5 m -141.51 76.51 1.55 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.323 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.48 ' N ' HH21 ' B' ' 26' ' ' ARG . . . -75.22 131.26 78.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.405 2.07 . . . . 0.0 112.292 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.665 0.269 . . . . 0.0 111.628 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.644 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 26' ' ' VAL . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' THR . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 90.9 m95 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.9 Cg_exo . . . . . 0 N--CA 1.463 -0.276 0 N-CA-C 111.786 -0.121 . . . . 0.0 111.786 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 30' ' ' VAL . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.615 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.525 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 26' ' ' VAL . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 83.1 m95 . . . . . 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo . . . . . 0 N--CA 1.462 -0.366 0 N-CA-C 111.717 -0.147 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 26' ' ' VAL . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 41' ' ' THR . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 73.3 m95 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 N-CA-C 111.659 -0.169 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' ASP . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.628 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.673 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.514 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 28' ' ' TYR . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 26' ' ' VAL . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 21' ' ' VAL . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.649 ' CG ' HD13 ' A' ' 16' ' ' ILE . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.626 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 80.4 m95 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo . . . . . 0 N--CA 1.461 -0.411 0 N-CA-C 111.367 -0.282 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' HG21 ' A' ' 30' ' ' VAL . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.596 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASP . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' HIS . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ILE . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' CD1' HG22 ' A' ' 16' ' ' ILE . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' SER . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 57' ' ' TYR . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.648 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 26' ' ' VAL . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 30' ' ' VAL . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.648 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 89.6 m95 . . . . . 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo . . . . . 0 N--CA 1.46 -0.458 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.458 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.671 ' HB2' HD12 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.447 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.9 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.649 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 26' ' ' VAL . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' HG22 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 15' ' ' SER . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 88.3 m95 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo . . . . . 0 N--CA 1.461 -0.4 0 N-CA-C 111.438 -0.255 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 15' ' ' SER . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.676 ' HB2' HD12 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 15' ' ' SER . 11.9 t . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.482 0.182 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 26' ' ' VAL . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CG ' HD13 ' A' ' 16' ' ' ILE . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 41' ' ' THR . 73.6 m95 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 N-CA-C 111.628 -0.182 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 15' ' ' SER . 40.7 t . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 13' ' ' VAL . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 28' ' ' TYR . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 26' ' ' VAL . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 74.9 m95 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo . . . . . 0 N--CA 1.462 -0.332 0 N-CA-C 111.839 -0.1 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' H ' HG22 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 50' ' ' ASP . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 28' ' ' TYR . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.58 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HE3' HG13 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 26' ' ' VAL . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 21' ' ' VAL . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CG ' HD13 ' A' ' 16' ' ' ILE . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 78.8 m95 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo . . . . . 0 N--CA 1.447 -1.26 0 N-CA-C 111.422 -0.261 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.592 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' HG22 ' A' ' 16' ' ' ILE . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 15' ' ' SER . 12.2 t . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 13' ' ' VAL . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' HG13 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 26' ' ' VAL . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.757 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 97.7 m95 . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 N-CA-C 111.8 -0.115 . . . . 0.0 111.8 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.757 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 28' ' ' TYR . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 15' ' ' SER . 24.7 t . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.679 0.276 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' HG12 ' A' ' 13' ' ' VAL . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 26' ' ' VAL . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 21' ' ' VAL . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 54' ' ' VAL . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' HE1' HG23 ' A' ' 41' ' ' THR . 91.0 m95 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo . . . . . 0 N--CA 1.445 -1.334 0 N-CA-C 111.328 -0.297 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HB2' ' OD2' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.54 HG12 ' N ' ' A' ' 15' ' ' SER . 41.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 13' ' ' VAL . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 26' ' ' VAL . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.631 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' NZ ' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.0 m95 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 111.451 -0.249 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 15' ' ' SER . 25.3 t . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.273 0.082 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 13' ' ' VAL . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 26' ' ' VAL . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' HE1' ' CG2' ' A' ' 41' ' ' THR . 69.7 m95 . . . . . 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo . . . . . 0 N--CA 1.445 -1.332 0 N-CA-C 111.594 -0.195 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 17' ' ' ARG . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' A' ' 16' ' ' ILE . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.63 ' HB2' HD12 ' A' ' 16' ' ' ILE . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 26' ' ' VAL . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB3' HG23 ' A' ' 16' ' ' ILE . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 84.0 m95 . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HB2' ' HE3' ' A' ' 38' ' ' LYS . 6.5 Cg_exo . . . . . 0 N--CA 1.458 -0.573 0 N-CA-C 111.853 -0.095 . . . . 0.0 111.853 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 36' ' ' PRO . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.737 ' HB2' HD12 ' A' ' 16' ' ' ILE . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.8 t . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 98.5 m95 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo . . . . . 0 N--CA 1.446 -1.3 0 N-CA-C 111.329 -0.296 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 36' ' ' PRO . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 28' ' ' TYR . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' HIS . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 16' ' ' ILE . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.552 ' HB2' HD12 ' A' ' 16' ' ' ILE . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 15' ' ' SER . 8.9 t . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HG2' ' NZ ' ' A' ' 31' ' ' LYS . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.712 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 26' ' ' VAL . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 22' ' ' ARG . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 21' ' ' VAL . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 30' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.436 ' HE1' ' CG2' ' A' ' 41' ' ' THR . 78.9 m95 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.675 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo . . . . . 0 N--CA 1.449 -1.114 0 N-CA-C 111.4 -0.269 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.436 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.613 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HB3' HG13 ' A' ' 16' ' ' ILE . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 30' ' ' VAL . 33.6 t . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.737 HG12 HG23 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 26' ' ' VAL . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.444 ' CE2' HG22 ' A' ' 54' ' ' VAL . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.6 m95 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 120.44 0.1 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' LEU . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' HIS . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.484 HD12 ' HB2' ' A' ' 50' ' ' ASP . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.619 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 15' ' ' SER . 12.0 t . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.5 ' N ' HG12 ' A' ' 13' ' ' VAL . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.656 HD12 ' HB2' ' A' ' 57' ' ' TYR . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 26' ' ' VAL . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 59.6 m95 . . . . . 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 CA--C 1.527 0.14 0 N-CA-C 111.42 -0.262 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 28' ' ' TYR . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 48' ' ' ILE . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.656 ' HB2' HD12 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.5 t . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 26' ' ' VAL . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.636 ' CG ' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 96.4 m95 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo . . . . . 0 N--CA 1.461 -0.439 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.462 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 28' ' ' TYR . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD12 ' HB2' ' A' ' 50' ' ' ASP . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 57' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.916 HG12 ' OE2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.9 m95 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.462 -0.362 0 N-CA-C 111.605 -0.19 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CB ' ' A' ' 36' ' ' PRO . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.916 ' OE2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.468 ' HB2' ' HG2' ' A' ' 44' ' ' PRO . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 50' ' ' ASP . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.991 0.424 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -108.66 128.8 55.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.926 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.9 tt -85.86 -61.57 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.759 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.0 p -159.42 78.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . 63.07 -88.91 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt 48.19 -87.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.569 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 97.46 -51.89 1.37 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.633 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -147.22 168.51 21.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.019 0.438 . . . . 0.0 111.307 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -149.94 -67.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.846 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG22 HD11 ' A' ' 49' ' ' LEU . 29.0 t 65.24 119.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.795 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -137.35 -151.03 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.308 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 124.41 51.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.0 t -97.97 129.77 47.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.628 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 1.8 tm-20 -62.28 -48.77 78.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m 166.63 160.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.186 -1.37 . . . . 0.0 109.783 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 57' ' ' TYR . 26.7 mt -66.8 152.88 9.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.085 0.469 . . . . 0.0 111.172 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.644 ' HE ' ' HE2' ' A' ' 31' ' ' LYS . 5.5 mtt-85 -116.16 -46.0 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.538 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.3 mttt -137.61 176.0 9.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.306 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -150.71 116.61 5.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.299 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.3 ptt180 -124.99 132.23 53.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.073 0.463 . . . . 0.0 110.294 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 26' ' ' VAL . 72.6 t -113.81 149.06 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.8 ttt180 -133.96 101.73 5.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 62.21 3.01 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.269 0.557 . . . . 0.0 109.97 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -18.1 4.71 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 40.0 mtpt -70.41 103.03 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG22 ' A' ' 21' ' ' VAL . 41.6 t -80.0 144.11 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.52 . . . . 0.0 111.507 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 42.2 mt-10 -139.08 147.61 42.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.802 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -130.47 115.01 16.22 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.75 87.86 0.35 Allowed 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' THR . 5.6 m -76.96 131.46 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HE2' ' HE ' ' A' ' 17' ' ' ARG . 32.8 ttmt -94.18 103.42 15.45 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 90.9 m95 -62.89 135.04 57.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.132 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 1.2 tpmt? -52.33 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.192 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.67 23.46 1.03 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.874 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.659 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.7 m95 -140.41 147.91 51.54 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 117.28 0.54 . . . . 0.0 111.119 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 15.9 Cg_exo -69.21 157.66 60.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.962 2.441 . . . . 0.0 111.786 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.83 -15.28 20.93 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.214 1.943 . . . . 0.0 111.354 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.5 mppt? -69.05 -29.64 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.143 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 84.5 m-85 -96.47 7.68 45.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.1 m -52.97 156.79 1.93 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' HG22 ' A' ' 30' ' ' VAL . 42.7 p -139.75 156.9 46.52 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.471 -0.491 . . . . 0.0 111.788 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -93.95 100.7 12.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.387 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -104.99 117.26 59.09 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.459 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.9 Cg_exo -48.46 149.17 7.07 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.238 1.958 . . . . 0.0 112.143 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.2 tm-20 -56.81 -14.54 3.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -88.07 -30.63 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.91 -31.13 35.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.37 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 11.8 mm -52.97 100.83 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' B' ' 26' ' ' ARG . 7.6 mt -68.89 2.49 2.58 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.866 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.615 ' HB3' HD12 ' A' ' 53' ' ' LEU . 30.6 t70 -139.19 106.75 7.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.47 -18.12 49.11 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.588 2.192 . . . . 0.0 111.117 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -35.01 77.64 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 50' ' ' ASP . 18.7 mt -64.33 -48.94 73.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.786 177.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.8 t -59.62 -58.21 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.231 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.68 -55.16 14.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.788 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.59 -35.57 63.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.814 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.71 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.4 t80 -62.13 -53.85 49.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -69.25 -8.95 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -77.36 -41.42 40.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.668 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -70.47 -43.06 70.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.698 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 65' ' ' ARG . 16.8 mm-40 -62.67 -52.8 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.109 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 9.5 pt-20 -53.2 -38.85 63.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.7 0.286 . . . . 0.0 110.545 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 11.7 ttt180 -58.8 -45.67 89.37 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.36 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -89.84 -63.47 1.28 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.515 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 33.2 mtp180 -40.45 -30.38 0.11 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.527 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -51.51 95.99 0.01 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.097 0.475 . . . . 0.0 111.261 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 61.9 m -141.21 -43.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.61 162.49 27.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.667 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -109.62 130.89 55.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.9 ttt180 -163.93 -162.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.549 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 23.5 tptm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.56 0.219 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.41 133.06 55.63 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.588 2.192 . . . . 0.0 112.329 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -113.71 -27.77 7.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt 58.51 37.97 25.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.166 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 59.09 -92.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 72.9 mt -137.31 133.65 35.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' B' ' 22' ' ' THR . . . -157.8 -9.65 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.044 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.401 ' H ' ' H ' ' B' ' 21' ' ' ALA . 52.7 p -86.73 -162.31 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.982 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' B' ' 23' ' ' LYS . 3.7 mppt? -59.45 133.35 56.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.551 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.433 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -161.07 149.19 15.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 0.0 111.504 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.25 -177.65 5.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.174 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.567 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.1 ptp180 -105.93 168.68 8.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.114 179.289 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m 60.15 -176.67 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.982 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -66.2 -52.3 39.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.593 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.1 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.061 1.841 . . . . 0.0 112.294 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 61.66 16.05 7.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.38 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mp -125.36 45.08 2.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.775 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.3 t -132.46 -59.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.09 -27.44 65.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.534 HG22 ' HG3' ' A' ' 8' ' ' GLU . 14.6 mt -98.59 131.18 46.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.017 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -37.13 3.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.733 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 6' ' ' ILE . 24.2 mt-10 56.89 -174.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 110.68 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.52 ' HG2' ' OG ' ' B' ' 28' ' ' SER . 12.9 pt20 -174.76 -53.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.653 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' LEU . 49.0 t 63.29 133.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.553 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 24.8 m-85 -137.45 -160.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.403 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.28 128.74 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.059 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 1.6 t -106.54 131.25 56.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 5.1 mt-10 -62.02 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 t 166.55 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.236 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 57' ' ' TYR . 24.4 mt -67.16 156.06 7.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 0.0 111.235 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.634 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.6 ttt-85 -118.27 -46.37 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.293 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 50.8 mttm -138.35 176.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.378 -178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.2 tttt -150.83 121.83 7.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.8 ptt180 -131.16 132.69 44.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 0.0 110.21 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 26' ' ' VAL . 84.2 t -114.01 149.53 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.07 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 22.5 ttt180 -135.35 102.02 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.878 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp 62.64 2.01 0.87 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.267 0.556 . . . . 0.0 109.994 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.6 -15.76 4.9 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.5 mtpp -72.82 103.82 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 21' ' ' VAL . 34.6 t -82.93 141.57 14.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.763 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 39.1 mt-10 -136.01 149.27 48.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -130.34 117.5 19.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 17' ' ' ARG . 1.9 tm? -71.21 87.09 0.79 Allowed 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.63 143.07 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' NZ ' ' HG3' ' A' ' 37' ' ' PRO . 54.7 tttp -102.82 108.81 20.16 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.078 -0.964 . . . . 0.0 108.4 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 83.1 m95 -73.68 133.54 43.41 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.653 0.595 . . . . 0.0 112.393 -178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 22.5 ttpp -56.52 -70.72 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.36 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.92 19.55 0.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.782 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 82.6 m95 -139.02 150.22 64.29 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 117.39 0.595 . . . . 0.0 111.592 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 14.0 Cg_exo -68.92 163.84 35.98 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.045 2.497 . . . . 0.0 111.717 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.546 ' HG3' ' NZ ' ' A' ' 31' ' ' LYS . 26.0 Cg_exo -61.58 -17.67 55.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.063 1.842 . . . . 0.0 111.075 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -71.06 -21.98 62.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.287 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 65.5 m-85 -100.93 10.51 41.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.81 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.8 m -53.79 156.61 2.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.2 p -138.75 157.8 45.4 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.963 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -96.75 103.22 15.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.253 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -108.36 118.22 52.76 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.555 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -47.47 150.81 3.45 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.262 1.975 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -58.1 -13.12 4.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -88.87 -29.91 19.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.371 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -80.95 -32.82 34.35 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.496 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.0 mm -52.77 100.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.151 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' B' ' 26' ' ' ARG . 8.4 mt -66.12 1.89 1.34 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.449 -177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 53' ' ' LEU . 1.4 m-20 -139.26 107.77 7.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.13 -12.67 35.84 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.448 2.099 . . . . 0.0 110.557 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' HE3' ' B' ' 23' ' ' LYS . 5.1 mmt180 -69.02 -37.0 78.4 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 50' ' ' ASP . 11.8 mt -62.73 -40.99 98.94 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.9 t -67.74 -56.29 13.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.942 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.68 30.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.335 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.78 -35.56 63.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.436 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.654 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.0 t80 -61.53 -51.02 70.31 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -67.13 -11.54 57.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.987 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -76.71 -42.4 41.56 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.297 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.53 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 2.6 mttt -69.77 -39.47 76.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.021 0.439 . . . . 0.0 109.856 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.8 mm-40 -68.38 -50.4 53.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.212 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 11.7 pt-20 -54.4 -37.32 64.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.887 0.375 . . . . 0.0 110.391 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -62.73 -52.77 61.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.193 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -82.63 -65.21 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.225 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.511 ' HA ' ' HB3' ' A' ' 69' ' ' TYR . 42.8 mtp180 -47.79 -29.87 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.472 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 53.72 -85.88 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.812 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ARG . 44.2 t -126.2 -55.78 1.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.911 0.386 . . . . 0.0 110.751 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.12 64.48 0.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.396 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.511 ' HB3' ' HA ' ' A' ' 65' ' ' ARG . 74.6 t80 -86.55 -14.77 41.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.753 0.311 . . . . 0.0 110.969 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 59.86 -147.35 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.692 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.5 tttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.859 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 32.0 Cg_exo -58.31 112.8 1.29 Allowed 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 121.983 1.788 . . . . 0.0 112.19 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -89.15 135.33 33.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.49 ' NZ ' ' HB3' ' B' ' 18' ' ' LYS . 0.2 OUTLIER -84.06 1.95 41.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.124 -179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 61.91 -83.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.193 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 mp -96.48 149.65 21.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . . . -87.69 147.33 25.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -92.44 -33.57 14.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.542 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.58 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 74.6 mmtt -141.39 -177.74 5.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.347 . . . . 0.0 111.192 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -142.15 175.99 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.758 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.511 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -161.36 -162.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.59 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.571 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.3 ptp180 -124.3 164.77 18.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.97 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.455 ' HB2' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.115 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.52 ' OG ' ' HG2' ' A' ' 9' ' ' GLN . 6.0 p -124.12 -160.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.637 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.41 65.44 1.84 Allowed Pre-proline 0 C--N 1.332 -0.176 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.192 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.461 2.107 . . . . 0.0 112.299 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 mmt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.05 0.452 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 52.96 34.64 17.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.43 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.6 tp -85.01 67.85 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.705 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.403 ' H ' ' H ' ' A' ' 5' ' ' ALA . 81.1 p -169.7 -12.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' H ' ' H ' ' A' ' 4' ' ' SER . . . -101.87 -35.04 9.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.391 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.1 mt -79.41 -82.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.092 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -30.99 2.43 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.603 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -120.25 -161.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.168 0.509 . . . . 0.0 112.201 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.522 ' HG3' ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -170.23 -38.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.259 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.557 HG22 ' CD1' ' A' ' 49' ' ' LEU . 21.6 t 68.23 140.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.941 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -145.05 -164.31 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.607 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.2 100.9 9.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.511 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 6.4 t -79.29 124.74 37.96 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.9 tp10 -63.64 -43.85 95.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.8 p 160.67 156.95 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.17 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.673 HD12 ' HB2' ' A' ' 57' ' ' TYR . 21.0 mt -63.71 155.55 5.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.063 0.459 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.574 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 12.8 mtt-85 -120.25 -44.24 2.49 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.432 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 74.4 mttt -138.51 172.14 13.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.33 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 71.7 tttt -146.69 122.77 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.989 178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.4 ptt180 -132.42 133.13 43.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.99 0.424 . . . . 0.0 110.297 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 26' ' ' VAL . 75.6 t -112.86 149.54 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.776 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 45.5 ttt180 -132.38 99.2 4.6 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt 61.5 3.8 0.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.179 0.514 . . . . 0.0 109.871 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -18.78 4.19 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.874 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.6 mtpt -71.0 103.2 2.62 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 21' ' ' VAL . 46.5 t -80.5 143.18 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.059 0.457 . . . . 0.0 111.38 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 44.6 mt-10 -137.5 153.22 50.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.809 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -135.6 113.73 11.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.4 87.67 0.12 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 41' ' ' THR . 15.4 m -75.86 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.423 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 61.0 tttm -94.98 106.79 18.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.216 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.3 m95 -68.28 129.54 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.235 -179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.3 ttpp -61.25 -57.44 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.568 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.49 17.27 3.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.371 -179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.6 m95 -143.57 154.17 59.44 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.995 0.397 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 8.9 Cg_exo -70.49 158.82 54.89 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.672 2.248 . . . . 0.0 111.659 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HB3' ' NH2' ' A' ' 17' ' ' ARG . 28.3 Cg_endo -63.03 -15.84 50.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.118 1.879 . . . . 0.0 111.141 179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -71.28 -24.15 62.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.606 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.23 9.2 42.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.57 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -51.02 157.38 0.86 Allowed 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.2 p -138.54 155.51 48.32 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.984 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -94.55 108.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.698 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -112.95 118.77 44.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 9.1 Cg_endo -50.29 147.72 15.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -51.71 -21.81 3.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.09 -37.22 39.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.281 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.464 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 8.8 m170 -74.66 -32.0 62.12 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.885 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 50' ' ' ASP . 16.4 mm -52.84 100.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' CD1' HG22 ' A' ' 10' ' ' VAL . 7.4 mt -68.04 2.28 2.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.947 -177.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.628 ' HB3' HD12 ' A' ' 53' ' ' LEU . 33.7 t70 -140.1 107.53 6.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.17 -18.69 56.51 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.522 2.148 . . . . 0.0 111.021 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -61.93 -39.77 93.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 50' ' ' ASP . 19.2 mt -60.05 -46.3 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 54.7 t -61.92 -60.33 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.656 -1.156 . . . . 0.0 111.211 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -53.28 18.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.368 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.3 -40.48 67.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.738 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.673 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.4 t80 -57.24 -54.47 46.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.189 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -69.24 -8.78 49.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.868 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 -42.31 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.168 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -68.16 -43.67 77.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.251 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 18.2 mm-40 -65.79 -54.09 31.66 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.636 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.3 pt-20 -47.7 -44.76 27.88 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.6 -179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 36.9 ttt180 -61.98 -46.41 89.36 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.765 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -76.39 -64.27 1.15 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.17 0.509 . . . . 0.0 109.872 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 45.0 mtp180 -45.83 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.012 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 65' ' ' ARG . . . 174.56 -40.92 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.029 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 m -173.54 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.612 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.06 -143.97 10.7 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.93 129.73 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -105.18 -162.58 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.861 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.46 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.46 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 73.0 Cg_endo -74.31 117.49 5.01 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 121.991 1.794 . . . . 0.0 112.346 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -67.47 -21.21 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.692 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.36 96.83 5.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.501 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -76.11 113.82 14.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 111.27 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.4 73.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.215 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.92 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.106 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p 44.66 -94.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.636 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 51.5 mtpt -79.34 109.3 13.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.746 0.307 . . . . 0.0 110.399 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -143.05 166.08 25.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.055 0.455 . . . . 0.0 111.944 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.37 146.68 13.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.62 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -84.64 160.6 20.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.0 -179.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.022 -179.866 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 73.5 m -153.31 -168.11 2.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.83 85.84 23.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.063 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.545 2.163 . . . . 0.0 112.267 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.1 ttp . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 121.152 0.501 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -94.57 -21.48 18.82 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.195 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.57 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -106.89 106.61 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.6 m -89.51 -171.62 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -24.74 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.213 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.7 mm -45.23 -74.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.901 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.56 78.15 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.482 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.713 ' H ' ' HB2' ' B' ' 29' ' ' ALA . 44.2 mt-10 63.74 -179.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.526 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -157.02 -41.9 0.07 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.625 HG22 HD11 ' A' ' 49' ' ' LEU . 21.5 t 63.82 140.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.742 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 2.3 m-85 -151.42 -161.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.001 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -110.63 108.18 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.535 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.599 HG21 ' HB3' ' B' ' 25' ' ' ALA . 2.2 t -88.04 125.65 41.49 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.807 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -59.62 -44.41 93.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 177.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p 162.08 145.72 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.402 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 28' ' ' TYR . 69.5 mt -56.32 143.12 10.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.078 0.466 . . . . 0.0 110.549 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.626 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 8.8 mtt180 -105.03 -44.32 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.322 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 77.5 mttt -134.99 174.11 10.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.6 tttt -148.38 114.38 5.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.577 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 23.2 ptt180 -122.42 135.61 54.72 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 26' ' ' VAL . 71.9 t -118.28 150.21 20.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.133 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.7 ttt180 -132.27 97.94 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.836 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt 60.97 4.35 0.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.264 0.554 . . . . 0.0 110.135 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.85 -22.78 3.43 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.666 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mtpm? -66.97 103.21 1.1 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.637 0.256 . . . . 0.0 110.327 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 HG22 HG22 ' A' ' 21' ' ' VAL . 39.1 t -83.27 143.42 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.945 0.402 . . . . 0.0 111.41 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 44.1 mt-10 -139.8 143.66 36.97 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.649 ' CG ' HD13 ' A' ' 16' ' ' ILE . 62.9 m-85 -125.07 117.11 23.22 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 84.39 0.26 Allowed 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 177.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.9 m -70.13 133.35 32.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.626 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 86.8 tttt -97.19 104.12 16.11 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.939 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.593 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 80.4 m95 -66.65 126.5 29.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.505 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 25.0 ttpt -60.62 -58.87 6.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.736 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.74 14.82 3.27 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.569 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.593 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 69.4 m95 -140.5 155.73 69.7 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 117.11 0.455 . . . . 0.0 111.105 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -67.2 159.38 52.46 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.551 2.167 . . . . 0.0 111.367 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.85 -16.12 52.96 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.081 1.854 . . . . 0.0 110.958 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -72.41 -19.87 61.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -101.33 11.17 39.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.767 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.5 m -53.9 157.29 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -140.42 161.89 36.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.076 0.465 . . . . 0.0 112.027 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -103.26 112.13 24.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.813 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' OE1' HG21 ' A' ' 30' ' ' VAL . 1.1 pt-20 -122.42 124.89 26.67 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.835 179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -48.28 146.58 9.7 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.759 2.306 . . . . 0.0 112.863 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -54.68 -25.99 30.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.405 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -78.22 -21.29 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.596 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 56.1 m80 -93.95 -22.68 18.43 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASP . 10.0 mm -56.77 94.97 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.696 ' HB2' ' H ' ' B' ' 25' ' ' ALA . 8.4 mt -58.45 0.9 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.562 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.498 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -142.62 108.41 5.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.892 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.28 -12.27 34.89 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.584 2.189 . . . . 0.0 111.037 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -66.49 -34.09 77.14 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' HG ' ' HG2' ' B' ' 23' ' ' LYS . 22.2 mt -67.54 -38.72 84.61 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.416 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 43.5 t -71.18 -51.41 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.081 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -55.91 27.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.433 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -52.59 -38.96 61.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.481 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.514 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 85.9 t80 -55.66 -53.98 49.84 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.285 0.564 . . . . 0.0 109.735 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.21 -12.06 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.223 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.34 -39.78 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.83 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.514 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 1.2 mttm -69.62 -40.74 76.4 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.992 0.425 . . . . 0.0 110.631 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.197 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 9.7 pt-20 -61.26 -31.45 71.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.917 0.389 . . . . 0.0 110.712 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -67.7 -51.91 43.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.283 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.62 -62.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.852 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -51.02 -59.46 4.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.19 31.3 3.5 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.203 0.525 . . . . 0.0 111.495 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.9 t -85.62 -39.38 17.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.199 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.18 132.76 0.1 Allowed Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.805 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -77.53 -34.65 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.669 ' HD3' ' H ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -94.68 -150.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.669 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 23.7 tptm . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.811 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.598 0.237 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 -167.42 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.534 2.156 . . . . 0.0 112.493 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 58.06 70.77 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -141.98 -84.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 56.24 -88.12 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.297 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -123.49 138.79 54.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.97 115.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.463 ' HB ' ' HD3' ' B' ' 23' ' ' LYS . 44.3 p -65.0 -64.87 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.498 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -131.02 125.55 33.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.79 0.328 . . . . 0.0 110.375 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -106.15 -79.24 0.57 Allowed 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.696 ' H ' ' HB2' ' A' ' 49' ' ' LEU . . . 63.69 139.86 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 111.484 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -105.48 147.25 28.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.547 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.402 HH23 ' HE2' ' A' ' 11' ' ' PHE . . . . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.971 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t 179.01 179.34 0.42 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.999 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.713 ' HB2' ' H ' ' A' ' 8' ' ' GLU . . . -138.61 102.63 7.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 122.437 2.091 . . . . 0.0 112.293 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.951 0.405 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 58.28 24.49 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.162 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 35.4 tp -168.96 72.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.749 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.9 p -173.08 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.99 137.31 10.69 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.685 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -66.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.744 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.4 -23.86 7.97 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.421 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 59.33 -178.66 0.09 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.165 0.507 . . . . 0.0 111.844 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' HE21 ' A' ' 9' ' ' GLN . 0.0 OUTLIER -142.77 44.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.708 179.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 49' ' ' LEU . 24.9 t -44.51 122.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.14 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -130.81 -162.58 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.387 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.38 126.23 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.442 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.2 t -103.88 123.14 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.723 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.65 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 28.2 mt-10 -57.46 -48.06 80.18 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 176.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 15.2 t 162.94 157.19 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.852 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 57' ' ' TYR . 16.2 mt -60.53 161.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.648 ' HE ' ' HE3' ' A' ' 31' ' ' LYS . 13.3 mtt-85 -127.5 -43.35 1.59 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 41.4 mttm -138.78 175.42 9.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.949 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -150.26 124.69 9.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.973 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.9 ptt180 -132.98 131.33 40.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.087 0.47 . . . . 0.0 110.295 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG22 HG22 ' A' ' 26' ' ' VAL . 74.7 t -112.91 149.06 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.745 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 69.0 ttt180 -131.98 98.19 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp 61.36 4.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.247 0.546 . . . . 0.0 109.927 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.12 -17.9 4.28 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.856 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 54.2 mtpt -71.94 103.31 3.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.75 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 45.3 t -84.07 141.51 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 10.7 mt-10 -134.4 159.23 41.69 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.231 -0.895 . . . . 0.0 108.814 177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 32.8 m-85 -140.78 109.04 5.8 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.522 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.0 tm? -63.55 92.36 0.06 Allowed 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' H ' HG22 ' A' ' 30' ' ' VAL . 4.1 m -83.43 137.43 20.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.648 ' HE3' ' HE ' ' A' ' 17' ' ' ARG . 2.0 ttmp? -93.83 108.9 20.62 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.556 177.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 89.6 m95 -75.16 137.59 41.43 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.65 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 4.7 ttpt -67.35 142.78 56.66 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.963 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.62 -11.13 3.42 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.256 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 91.9 m95 -107.74 149.5 39.05 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 9.2 Cg_exo -71.34 157.93 55.62 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 123.041 2.494 . . . . 0.0 111.594 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -61.84 -16.92 52.32 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.109 1.872 . . . . 0.0 110.982 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -71.78 -24.56 61.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.85 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 52.3 m-85 -95.88 6.58 48.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.51 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.2 m -53.03 155.94 2.3 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.0 p -138.03 156.15 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -93.85 104.63 16.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.321 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -107.21 120.0 49.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.329 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 8.0 Cg_endo -48.9 140.23 23.91 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.297 1.998 . . . . 0.0 111.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.75 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 7.9 tt0 -57.54 -12.75 2.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.382 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.43 -21.52 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 50.8 m80 -96.07 -22.57 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.736 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.7 mm -52.97 99.62 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 178.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD1' HG13 ' A' ' 10' ' ' VAL . 10.6 mt -63.83 2.74 0.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.49 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -144.96 106.3 4.52 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.437 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.64 -26.44 69.04 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.679 2.252 . . . . 0.0 111.146 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' HB3' ' HE3' ' B' ' 23' ' ' LYS . 0.9 OUTLIER -54.33 -34.48 61.12 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.432 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.0 mt -63.9 -45.9 87.26 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 53.6 t -64.71 -63.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.189 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.471 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -44.18 -53.4 6.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.607 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' HA ' ' HB2' ' A' ' 59' ' ' GLU . . . -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.015 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.671 ' HB2' HD12 ' A' ' 16' ' ' ILE . 85.8 t80 -61.19 -56.88 15.64 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.335 0.588 . . . . 0.0 109.567 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 55' ' ' MET . 0.7 OUTLIER -70.32 -8.26 49.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.638 179.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 15.0 mt-10 -80.27 -44.31 19.84 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 5.5 mttt -68.87 -41.59 78.19 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 110.076 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 65' ' ' ARG . 11.9 mm-40 -64.53 -52.06 59.69 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.498 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 12.8 pt-20 -52.59 -40.69 62.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.398 -179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -62.02 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.539 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -75.56 -62.04 1.71 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.166 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' GLU . 80.7 mtt180 -44.82 -27.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.736 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -44.07 -43.4 6.83 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.749 0.309 . . . . 0.0 111.655 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.4 m -135.17 -40.06 0.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.754 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.82 -58.69 0.56 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.568 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -129.78 97.99 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.776 0.322 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -152.4 -167.64 2.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.857 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.504 0.192 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.91 129.4 34.36 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.587 2.191 . . . . 0.0 112.388 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -86.26 89.19 7.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -112.68 101.03 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -143.64 -15.33 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.721 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.55 HD13 ' H ' ' B' ' 20' ' ' LEU . 0.0 OUTLIER -99.02 28.54 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.995 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.37 45.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -61.45 117.87 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.477 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.6 ' HE3' ' HB3' ' A' ' 52' ' ' ARG . 18.9 mttp -78.84 165.82 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.913 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -145.55 153.57 41.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.04 162.28 39.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.505 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -96.59 151.26 19.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.397 -179.36 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.423 ' N ' ' HG2' ' B' ' 26' ' ' ARG . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.458 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 40.8 m 61.01 -176.86 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.042 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.7 74.93 75.27 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.572 2.181 . . . . 0.0 112.337 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 121.099 0.476 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -92.08 148.58 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.043 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.08 48.98 14.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.0 p -169.52 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.754 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.7 -59.63 0.85 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -60.75 -74.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.263 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.72 -72.0 2.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.12 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.62 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 9.8 mt-10 -132.98 -169.69 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.947 0.403 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 12.3 pt20 -158.34 -35.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.898 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.543 HG22 HD11 ' A' ' 49' ' ' LEU . 28.1 t 62.86 147.15 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.623 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 16.1 m-85 -140.69 -142.47 0.15 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.301 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -127.0 114.32 17.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.442 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' B' ' 24' ' ' ALA . 6.9 t -89.06 122.95 41.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.56 -41.08 96.86 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 3.9 m 164.8 -174.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.055 -1.429 . . . . 0.0 109.804 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.676 HD12 ' HB2' ' A' ' 57' ' ' TYR . 31.8 mt -92.57 152.46 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.649 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.5 ttt-85 -113.96 -46.99 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.786 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 45.3 mttm -137.67 175.74 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.362 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 73.5 tttt -150.18 112.07 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.697 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 5.2 ptt180 -119.58 143.18 47.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 26' ' ' VAL . 70.5 t -125.03 151.02 30.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' GLY . 54.5 ttt180 -133.65 99.65 4.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.092 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp 61.81 3.51 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.224 0.535 . . . . 0.0 110.074 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.61 -21.7 3.77 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.728 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 27.8 mtpp -67.8 103.44 1.43 Allowed 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' HG22 ' A' ' 21' ' ' VAL . 44.3 t -80.85 145.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.197 0.522 . . . . 0.0 111.192 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 46.8 mt-10 -141.43 139.87 33.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.704 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -122.47 118.36 28.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -70.14 85.29 0.54 Allowed 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -74.15 130.46 35.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.674 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 15' ' ' SER . 23.4 pttm -96.23 109.69 22.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 88.3 m95 -70.46 132.67 45.92 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.764 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -62.32 -54.16 44.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.247 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.0 19.68 4.24 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.974 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.721 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 83.6 m95 -145.42 153.4 51.81 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 111.253 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.18 153.48 66.95 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.83 2.353 . . . . 0.0 111.438 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.79 -18.5 34.43 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.094 1.862 . . . . 0.0 111.126 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -69.99 -29.4 66.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -96.12 11.47 34.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.594 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -52.18 155.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.7 p -133.31 159.53 39.99 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.79 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -97.59 104.64 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.763 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -109.33 117.64 52.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.805 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 79.4 Cg_exo -48.62 149.86 6.7 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.308 2.005 . . . . 0.0 112.3 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -54.88 -17.98 4.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.701 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.56 -35.18 22.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -74.18 -28.96 61.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.2 mm -57.58 100.5 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HG22 ' A' ' 10' ' ' VAL . 8.6 mt -67.2 -5.68 14.8 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.892 -177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.48 110.53 12.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -67.07 -15.84 47.67 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.462 2.108 . . . . 0.0 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' B' ' 23' ' ' LYS . 4.4 mtt180 -62.59 -37.08 84.83 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 20.7 mt -63.28 -48.84 76.43 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.984 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -58.83 -52.46 59.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.289 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.56 4.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.813 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -51.96 -31.73 30.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.834 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.676 ' HB2' HD12 ' A' ' 16' ' ' ILE . 92.4 t80 -62.58 -50.28 71.92 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.1 -11.89 51.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.839 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.5 -43.26 15.96 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.211 179.673 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -66.1 -44.02 85.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.961 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HB3' ' HG3' ' A' ' 65' ' ' ARG . 19.8 mm-40 -63.6 -55.96 19.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.516 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 9.5 pt-20 -47.04 -38.72 11.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.298 -179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.0 mmp_? -59.36 -54.86 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.045 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -80.36 -62.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.257 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.607 ' HG3' ' HB3' ' A' ' 61' ' ' GLU . 26.3 mmm180 -35.78 -41.23 0.21 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.971 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.58 -80.94 0.01 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.292 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' ARG . 59.6 m -136.3 112.45 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 110.428 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.67 53.3 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.544 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -55.64 145.0 24.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.742 0.306 . . . . 0.0 110.644 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' H ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -156.05 -160.49 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.249 -179.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 88.5 tttt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.918 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.5 133.58 20.91 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.45 2.1 . . . . 0.0 112.325 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -107.13 139.23 41.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -145.57 138.56 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -128.6 20.44 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.05 -14.08 58.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.81 124.73 21.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -102.98 -73.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.205 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER 62.7 127.3 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.987 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.517 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -142.08 162.43 35.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.929 0.395 . . . . 0.0 111.871 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 10' ' ' VAL . . . -132.51 -178.09 4.77 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.667 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -89.74 -87.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 121.148 0.499 . . . . 0.0 110.206 -178.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 33.4 t -163.85 157.25 18.59 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.167 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.647 ' H ' ' HD2' ' B' ' 30' ' ' PRO . . . -164.17 -53.02 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.625 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.647 ' HD2' ' H ' ' B' ' 29' ' ' ALA . 32.2 Cg_endo . . . . . 0 C--O 1.249 1.052 0 C-N-CA 122.046 1.831 . . . . 0.0 112.252 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.957 0.408 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -38.16 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.225 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 51.76 78.5 0.12 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.0 p -153.67 -57.53 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.53 -32.23 4.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.7 mt 52.24 82.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 94.27 0.33 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.529 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -63.37 178.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.425 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.559 HE21 ' HB2' ' B' ' 27' ' ' MLY . 10.1 pt20 -174.37 -42.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.5 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 50.8 t 64.39 133.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.108 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HE2' HH23 ' B' ' 27' ' ' MLY . 10.7 m-85 -140.91 -160.13 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.348 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.94 116.08 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.354 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 11.9 t -91.28 121.31 41.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.191 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 35.8 tt0 -56.54 -42.59 78.75 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 176.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.9 p 160.24 144.32 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.056 178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.608 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 65.4 mt -51.84 148.08 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.289 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HG3' ' HB2' ' A' ' 31' ' ' LYS . 3.6 mtt180 -109.97 -45.9 3.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.169 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 78.6 mttt -132.94 175.87 8.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.235 0.541 . . . . 0.0 112.27 -178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 60.1 tttt -147.47 133.3 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.089 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.575 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -141.25 136.44 31.67 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 26' ' ' VAL . 69.1 t -121.43 150.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.031 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 73.4 ttt180 -132.48 96.93 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 62.05 3.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.294 0.569 . . . . 0.0 110.062 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.47 -22.0 3.39 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.723 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.6 mtpt -67.27 102.94 1.14 Allowed 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 21' ' ' VAL . 41.7 t -81.83 149.42 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.349 0.595 . . . . 0.0 111.594 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.575 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 12.1 mm-40 -144.08 150.05 37.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.33 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CG ' HD13 ' A' ' 16' ' ' ILE . 60.8 m-85 -136.59 114.95 11.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -67.57 83.6 0.17 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 21.2 m -69.65 132.71 32.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.608 ' HB2' ' HG3' ' A' ' 17' ' ' ARG . 87.5 tttt -95.76 105.58 17.6 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.319 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 73.6 m95 -64.82 131.28 46.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.271 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 22.2 ttpp -60.45 -59.22 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.71 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.16 19.27 3.67 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.585 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.678 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 73.5 m95 -142.71 153.55 61.63 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 117.178 0.489 . . . . 0.0 111.466 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 9.8 Cg_exo -70.21 161.2 46.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.843 2.362 . . . . 0.0 111.628 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.12 -16.66 55.84 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.094 1.863 . . . . 0.0 111.271 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.86 -27.4 63.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.024 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -97.8 7.96 45.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.295 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -52.04 157.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.428 HG23 ' HE1' ' A' ' 32' ' ' TRP . 44.3 p -138.97 153.5 48.19 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.956 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -91.03 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.731 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -117.55 117.19 36.35 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.803 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.562 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.1 Cg_exo -48.78 150.86 5.88 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.192 1.928 . . . . 0.0 111.951 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.2 tm-20 -54.13 -17.97 3.28 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.912 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -82.47 -35.65 27.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.668 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.6 -34.4 65.04 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.186 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.4 mm -54.43 99.63 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.128 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.683 HD11 ' HB3' ' B' ' 26' ' ' ARG . 8.9 mt -66.73 2.2 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.035 -177.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.9 107.82 5.4 Favored Pre-proline 0 C--N 1.327 -0.383 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.827 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.29 -13.8 40.25 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.45 2.1 . . . . 0.0 110.644 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HG3' ' HE2' ' B' ' 23' ' ' LYS . 6.8 mmt180 -66.8 -34.6 78.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.58 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 22.6 mt -66.83 -39.13 87.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.091 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 36.3 t -68.22 -50.62 56.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.727 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -53.68 55.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.805 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' A' ' 60' ' ' LYS . . . -51.89 -42.57 62.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.323 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 73.7 t80 -52.73 -56.86 12.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.455 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 12.5 mt-10 -67.18 -9.91 45.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.743 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -84.46 -41.46 16.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.577 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -67.91 -41.88 81.97 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.997 0.427 . . . . 0.0 110.034 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 65' ' ' ARG . 57.8 mt-10 -65.84 -53.38 40.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.38 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 9.7 pt-20 -48.62 -41.24 30.41 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.289 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.6 mmt180 -61.35 -52.49 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.681 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -79.72 -64.62 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 61' ' ' GLU . 15.9 mmt180 -37.74 -53.76 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.31 93.54 1.13 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.311 0.577 . . . . 0.0 111.08 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 t -153.25 -12.55 0.15 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.07 -49.25 77.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.409 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -126.42 -69.77 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.881 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 14.8 ttp180 -153.42 -143.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.442 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.6 ttpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.802 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 120.621 0.248 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.6 -13.14 34.62 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.47 2.114 . . . . 0.0 112.348 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.47 ' HD3' HD22 ' B' ' 20' ' ' LEU . 29.1 ttm180 -156.61 129.87 8.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.785 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -134.23 145.58 49.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 58.91 92.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' B' ' 17' ' ' ARG . 61.3 tp -140.6 98.93 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.33 100.11 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.625 HG22 ' HG2' ' B' ' 23' ' ' LYS . 65.7 m -92.52 -74.49 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.625 ' HG2' HG22 ' B' ' 22' ' ' THR . 46.7 mmtm -139.26 -163.0 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.488 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -147.82 144.37 28.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.967 0.413 . . . . 0.0 111.968 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -128.42 -167.17 1.73 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.525 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.683 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.7 ptp180 -119.84 166.7 12.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.881 0.372 . . . . 0.0 111.611 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.559 ' HB2' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.997 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 70.8 p -59.13 90.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.055 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.46 156.05 0.12 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--O 1.249 1.026 0 C-N-CA 122.477 2.118 . . . . 0.0 112.264 179.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.964 0.411 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.7 -4.19 26.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.231 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 4' ' ' SER . 92.5 mt -63.45 122.27 15.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.667 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 3' ' ' LEU . 32.4 t 74.05 -4.84 2.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.898 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.43 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.162 0.506 . . . . 0.0 110.192 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.53 118.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.818 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 76.83 0.22 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.671 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 35.3 mt-10 60.68 -178.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.024 0.44 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -163.3 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.645 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 10.6 t 65.15 139.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.603 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.8 -101.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.538 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.23 102.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 15' ' ' SER . 40.7 t -85.28 123.68 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.871 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.636 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.8 tp10 -58.84 -42.81 90.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.58 ' N ' HG12 ' A' ' 13' ' ' VAL . 4.7 m 162.99 150.92 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 113.74 -1.573 . . . . 0.0 109.958 178.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.646 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.8 mt -54.94 161.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.595 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 7.9 mtt-85 -126.55 -43.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.77 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.3 mttm -138.18 170.65 15.67 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HD2' ' CE1' ' A' ' 28' ' ' TYR . 73.6 tttt -146.9 117.32 7.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.084 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 18.8 ptt180 -125.3 133.32 52.67 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 26' ' ' VAL . 93.0 t -116.96 148.72 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.295 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLY . 49.3 ttt180 -133.42 100.62 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.838 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp 61.94 3.3 0.91 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.243 0.544 . . . . 0.0 110.063 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.62 -15.94 4.87 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.96 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.3 mtpt -72.64 103.25 3.52 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 21' ' ' VAL . 46.2 t -83.52 141.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.752 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 42.0 mt-10 -138.18 138.68 38.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HD2' ' A' ' 19' ' ' LYS . 55.1 m-85 -120.96 121.07 37.21 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -75.04 91.34 2.53 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 34.9 m -78.47 137.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 87.8 tttt -98.61 104.54 16.58 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.428 -0.805 . . . . 0.0 108.888 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.656 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 74.9 m95 -63.47 133.04 53.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.685 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.636 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 23.6 ttpt -54.27 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.207 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.7 25.74 1.42 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.963 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.656 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 84.3 m95 -141.8 151.47 59.89 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.322 0.561 . . . . 0.0 111.368 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 12.2 Cg_exo -69.48 160.09 51.11 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.984 2.456 . . . . 0.0 111.839 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 32.3 Cg_exo -61.48 -17.49 54.03 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.216 1.944 . . . . 0.0 111.134 178.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -71.13 -23.55 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.09 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -100.91 8.92 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.3 m -53.53 159.15 1.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.4 p -140.63 150.02 43.04 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.142 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -90.74 113.82 26.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.521 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.31 117.55 29.23 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.336 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 89.1 Cg_exo -44.4 152.98 0.38 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.452 2.101 . . . . 0.0 112.563 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.4 tm-20 -54.67 -21.43 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.57 -26.37 26.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.438 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 49.4 m80 -76.01 -38.38 57.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 112.026 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 50' ' ' ASP . 2.5 mt -52.65 105.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.198 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 10' ' ' VAL . 9.1 mt -67.72 2.54 1.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.067 -0.969 . . . . 0.0 112.139 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' H ' HG22 ' A' ' 48' ' ' ILE . 2.4 t0 -143.27 112.35 5.58 Favored Pre-proline 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.894 -179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.61 -28.42 60.99 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.549 2.166 . . . . 0.0 111.595 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.4 mpp_? -52.59 -32.59 42.06 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 23.8 mt -66.46 -48.22 70.62 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.341 -0.845 . . . . 0.0 108.973 177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.434 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.4 t -61.51 -60.17 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.988 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.21 -53.18 17.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -57.01 -36.77 70.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.639 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.646 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.3 t80 -58.62 -51.13 71.23 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.68 -12.95 62.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.238 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -80.54 -39.01 28.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.232 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -68.57 -40.45 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.778 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.8 mm-40 -64.76 -53.61 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.204 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -53.09 -35.39 59.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -64.34 -48.01 77.21 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.7 -65.0 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 61' ' ' GLU . 48.3 mtp180 -44.22 -31.52 1.01 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.302 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 52.24 -88.81 0.02 OUTLIER 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.032 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 t -164.08 -24.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.76 147.1 18.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.666 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -71.33 -21.66 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.982 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.622 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 21.6 ttp180 -97.28 -162.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.636 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 62.6 tttp . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.563 0.22 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.09 -33.49 74.05 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.597 2.198 . . . . 0.0 112.513 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -163.29 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 57.46 -176.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.398 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -77.59 -71.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 76.3 mt 59.8 80.66 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.34 -171.21 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.7 p -79.39 -114.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.277 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' B' ' 23' ' ' LYS . 0.5 OUTLIER 53.36 82.56 0.08 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.925 0.393 . . . . 0.0 110.887 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.562 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -126.53 -178.94 4.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.13 162.8 36.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -88.42 171.12 10.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.53 -179.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.671 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 3.7 m -134.53 -79.58 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.645 0.259 . . . . 0.0 111.302 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.48 151.08 0.12 Allowed Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.341 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo . . . . . 0 C--O 1.25 1.08 0 C-N-CA 122.513 2.142 . . . . 0.0 112.391 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.0 mmt . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 121.031 0.444 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -105.29 134.07 49.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.212 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.2 mt -92.34 -35.94 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.668 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.9 p -159.46 -167.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -56.07 -47.1 78.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt 52.29 -85.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.024 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 5' ' ' ALA . . . 141.85 -61.71 0.53 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.363 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 63.6 159.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.078 0.466 . . . . 0.0 111.464 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' ' H ' ' B' ' 27' ' ' MLY . 4.2 pp0? -169.94 -36.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.195 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG22 HD11 ' A' ' 49' ' ' LEU . 44.7 t 65.03 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.141 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -143.92 -169.23 3.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.847 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HB1' ' HE2' ' A' ' 33' ' ' LYS . . . -100.49 128.7 46.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.793 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 3.6 t -105.94 127.96 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 CA-C-O 120.781 0.324 . . . . 0.0 111.718 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.9 tp10 -63.02 -44.18 96.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 177.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.1 m 158.95 144.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.345 -1.298 . . . . 0.0 110.267 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 28' ' ' TYR . 55.4 mt -55.11 144.3 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.333 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.58 ' HE ' ' HD2' ' A' ' 31' ' ' LYS . 11.1 mtt180 -107.16 -44.84 4.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.188 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 39.3 mttm -136.53 176.93 8.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.367 -178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HE3' HG13 ' A' ' 26' ' ' VAL . 78.8 tttt -146.36 126.3 13.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.303 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -129.58 135.01 48.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 26' ' ' VAL . 71.7 t -119.6 150.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.905 -179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' GLY . 68.4 ttt180 -131.84 97.76 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.861 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 61.75 3.67 0.93 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.214 0.53 . . . . 0.0 109.975 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.93 -18.96 3.97 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.739 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 7.0 mtpm? -70.92 103.16 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG22 HG22 ' A' ' 21' ' ' VAL . 48.1 t -80.25 148.42 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.435 0.636 . . . . 0.0 112.394 -178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -140.37 157.78 45.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.705 -1.134 . . . . 0.0 108.619 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.578 ' CG ' HD13 ' A' ' 16' ' ' ILE . 58.8 m-85 -140.92 114.64 8.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.689 -0.404 . . . . 0.0 112.058 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.3 tm? -65.29 84.27 0.05 Allowed 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 6.8 m -73.03 129.13 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 55.9 tttm -93.16 108.39 20.0 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.336 -0.847 . . . . 0.0 108.955 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.8 m95 -67.56 134.83 51.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.71 -178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 14.4 mtmt -43.73 -84.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.32 39.57 1.45 Allowed Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.84 -0.695 . . . . 0.0 113.295 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -141.87 149.67 53.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.207 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 46.9 Cg_endo -81.63 161.7 19.19 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 123.23 2.62 . . . . 0.0 111.422 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.87 -17.77 19.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.576 2.184 . . . . 0.0 112.862 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.7 mtmt -68.26 -26.73 65.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.618 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 81.4 m-85 -101.71 3.69 39.89 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -50.67 157.15 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 32' ' ' TRP . 51.7 p -139.47 155.6 47.47 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.981 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -97.21 101.86 13.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.607 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -107.09 126.71 29.49 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.757 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 65.0 Cg_exo -52.08 150.98 17.56 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.227 1.951 . . . . 0.0 112.058 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.5 tm-20 -57.35 -17.7 13.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.866 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.15 -30.87 22.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -77.62 -27.27 51.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.251 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.7 mm -57.9 98.57 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 HG22 ' A' ' 10' ' ' VAL . 10.4 mt -64.91 2.31 0.74 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.106 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.592 ' HB3' HD12 ' A' ' 53' ' ' LEU . 32.9 t70 -142.23 108.03 5.73 Favored Pre-proline 0 C--N 1.327 -0.402 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.52 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 -24.32 66.32 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.373 2.049 . . . . 0.0 110.94 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -56.59 -38.38 71.92 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 50' ' ' ASP . 30.4 mt -61.44 -40.38 94.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.056 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 71.5 t -72.07 -65.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.227 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 9.9 tpp -44.6 -49.74 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -60.9 -36.44 79.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.81 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' HA ' ' HD2' ' A' ' 60' ' ' LYS . 80.2 t80 -60.24 -55.98 27.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 109.308 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -69.37 -8.53 47.28 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.148 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.559 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -85.23 -36.61 20.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 57' ' ' TYR . 7.8 mttt -66.22 -44.22 84.44 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 21.5 pt-20 -62.17 -48.94 77.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.851 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 35.8 mt-10 -46.66 -65.95 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.113 0.482 . . . . 0.0 110.482 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -58.6 -26.13 63.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.947 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -96.87 -67.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.7 ptt180 -71.82 -44.23 64.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -77.05 1.46 17.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.828 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.9 p -168.66 117.6 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.307 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.88 -85.77 0.19 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.217 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -106.23 95.55 5.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.651 0.262 . . . . 0.0 110.505 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER 48.35 -159.22 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.531 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.461 0.172 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' B' ' 15' ' ' ALA . 15.8 Cg_endo -57.55 114.49 1.97 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.042 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -126.8 -47.4 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -167.58 130.32 1.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.314 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -140.53 -92.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.546 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 96.9 mt 46.96 92.39 0.01 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.812 0.339 . . . . 0.0 111.813 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.69 107.58 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.731 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.602 HG23 ' HG3' ' B' ' 23' ' ' LYS . 3.3 t -90.4 -40.26 12.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.548 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.602 ' HG3' HG23 ' B' ' 22' ' ' THR . 48.8 mttp -86.85 117.1 25.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.43 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -151.66 168.65 24.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.456 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.447 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -164.92 161.27 19.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 4.6 ptp180 -89.97 158.81 17.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.046 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.508 ' H ' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.9 t 60.12 92.18 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.26 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.7 152.83 0.12 Allowed Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.559 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.508 2.139 . . . . 0.0 112.282 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 121.028 0.442 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -104.69 -25.93 12.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.145 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 78.31 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.997 0.427 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.9 t -102.79 -33.72 9.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.03 -26.81 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 HG22 ' HB2' ' A' ' 8' ' ' GLU . 67.4 mt -62.14 117.76 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.998 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.17 70.78 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.656 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 39.1 mt-10 -40.76 139.26 0.86 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.713 0.292 . . . . 0.0 111.389 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' H ' ' H ' ' A' ' 10' ' ' VAL . 4.8 pp0? -163.14 -4.72 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.677 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.665 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 16.7 t 65.72 148.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.02 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.03 -103.96 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.589 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.81 113.59 0.5 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.332 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.778 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 12.2 t -90.18 130.4 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.09 -43.97 63.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 176.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' N ' HG12 ' A' ' 13' ' ' VAL . 11.2 p 162.14 154.02 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.005 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 13.2 mt -64.51 161.65 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.148 0.499 . . . . 0.0 111.531 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mtt180 -127.43 -44.51 1.55 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.534 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 71.8 mttt -138.55 173.59 11.43 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.065 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' HG13 ' A' ' 26' ' ' VAL . 75.4 tttt -145.22 133.57 21.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.039 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.563 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -136.68 137.41 39.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.904 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 26' ' ' VAL . 92.8 t -123.05 148.64 26.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.858 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 31.2 ttt180 -134.13 100.14 4.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp 62.39 2.68 0.91 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.262 0.553 . . . . 0.0 109.956 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.72 -16.82 4.49 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.789 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.2 mtpp -72.6 103.06 3.44 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.757 ' HB ' ' HB3' ' A' ' 45' ' ' GLU . 59.6 t -81.36 148.82 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.387 0.613 . . . . 0.0 111.996 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.563 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.7 mt-10 -138.34 160.15 40.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.304 178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 45' ' ' GLU . 24.9 m-85 -143.36 110.19 5.58 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.966 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -66.01 85.54 0.09 Allowed 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.564 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -85.08 131.39 34.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -84.59 131.52 34.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 97.7 m95 -92.53 137.46 32.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -177.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 35' ' ' TRP . 23.0 mtmt -57.99 133.15 55.26 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.403 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -18.12 2.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.662 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.7 m95 -97.42 147.25 32.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 11.2 Cg_exo -72.42 156.95 53.95 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.099 2.533 . . . . 0.0 111.8 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 32.0 Cg_exo -58.88 -16.58 32.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.29 1.993 . . . . 0.0 111.34 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 3.0 mppt? -68.33 -29.81 68.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.396 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD2' ' HD2' ' A' ' 36' ' ' PRO . 84.3 m-85 -96.52 6.38 48.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.858 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.2 m -50.32 153.4 1.52 Allowed 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.2 p -135.59 144.98 46.46 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.195 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 90.3 m95 -84.18 104.83 14.56 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.227 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.9 118.72 49.32 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 5.2 Cg_endo -47.33 137.98 18.19 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 122.385 2.057 . . . . 0.0 111.828 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.757 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . 6.0 tt0 -52.37 -17.67 1.28 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.39 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -83.61 -34.06 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 32.1 m80 -78.63 -29.61 46.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 50' ' ' ASP . 14.8 mm -52.93 101.6 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG22 ' A' ' 10' ' ' VAL . 10.9 mt -64.65 2.56 0.64 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.576 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.51 ' CG ' ' HA ' ' B' ' 23' ' ' LYS . 0.3 OUTLIER -143.69 113.85 5.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -179.26 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 16.5 Cg_exo -69.74 -14.85 36.74 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.51 2.14 . . . . 0.0 110.636 177.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 4.8 mmm180 -61.7 -42.44 98.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 16.8 mt -60.95 -46.44 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.382 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 28' ' ' TYR . 40.3 t -60.64 -58.64 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.183 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.25 -51.93 23.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.13 -37.85 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.728 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.3 t80 -61.18 -52.97 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.113 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.71 -11.25 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.66 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -78.21 -46.9 19.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.089 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 2.8 mtpp -68.25 -41.81 80.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.514 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' ARG . 9.3 mm-40 -66.73 -50.76 61.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.709 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.3 -37.48 62.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.742 0.306 . . . . 0.0 110.465 -179.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -63.05 -53.88 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.436 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -82.42 -65.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.339 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.6 mtp180 -48.58 -35.7 14.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.384 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.13 -88.56 0.02 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.116 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -140.95 -60.46 0.5 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.046 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.32 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.315 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -79.89 -47.74 14.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 111.003 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 38.7 ttt180 -142.47 -145.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.664 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 63.5 tttp . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.835 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.502 0.192 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.61 -29.71 36.17 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.412 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -98.68 -50.53 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.693 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -74.51 143.99 44.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -129.32 24.89 5.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.8 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.11 55.17 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.27 6.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -166.16 16.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.762 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.51 ' HA ' ' CG ' ' A' ' 50' ' ' ASP . 60.5 mttp 55.61 -96.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.16 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.778 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 63.53 159.01 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.175 0.512 . . . . 0.0 112.208 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.56 174.12 15.1 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.739 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.665 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 3.3 ptp180 -89.19 147.4 24.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 0.0 111.31 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.168 -179.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 18.1 t -83.07 49.2 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.363 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' B' ' 30' ' ' PRO . . . -80.37 -51.03 1.07 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' B' ' 29' ' ' ALA . 72.8 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 122.06 1.84 . . . . 0.0 112.405 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.957 0.408 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 63.17 -76.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.84 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.68 91.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.701 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.6 p -166.04 -53.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.02 -26.1 18.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.508 HG23 ' H ' ' B' ' 29' ' ' ALA . 54.4 mt -62.16 96.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.49 12.23 70.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.336 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 55.3 -178.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.46 . . . . 0.0 111.429 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -178.0 -45.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.776 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 41.8 t 65.52 146.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.576 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.434 ' CD2' HH12 ' B' ' 27' ' ' MLY . 19.2 m-85 -134.85 -109.48 0.22 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.545 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.34 109.72 0.45 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.767 0.318 . . . . 0.0 111.157 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.71 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 24.7 t -87.61 125.51 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.592 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 36.4 tt0 -60.71 -42.59 97.55 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' HG12 ' A' ' 13' ' ' VAL . 22.5 p 164.08 154.2 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.081 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 ' HB2' ' A' ' 57' ' ' TYR . 12.9 mt -57.93 164.02 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 3.3 mtt180 -130.23 -43.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.344 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 46.4 mttm -137.87 173.79 11.26 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.789 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 66.5 tttt -149.52 122.69 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.018 178.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 14.5 ptt180 -132.58 133.43 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.924 0.392 . . . . 0.0 110.087 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 26' ' ' VAL . 76.5 t -114.56 151.42 16.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.393 -178.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' GLY . 51.2 ttt180 -133.24 98.36 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.909 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 62.0 3.05 0.87 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.225 0.536 . . . . 0.0 110.181 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.67 -18.79 4.05 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.667 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 49.7 mtpt -70.71 103.12 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG22 HG22 ' A' ' 21' ' ' VAL . 43.3 t -82.25 142.61 13.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.633 -179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.583 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 37.5 mt-10 -135.83 149.75 49.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 54' ' ' VAL . 47.4 m-85 -132.89 112.55 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -68.83 86.38 0.34 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.644 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 3.0 m -86.38 136.04 23.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.22 -0.592 . . . . 0.0 112.396 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 62.2 tttm -90.7 111.31 22.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.328 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 91.0 m95 -66.47 133.32 50.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.877 -179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -63.44 135.33 56.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.463 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.14 -25.13 4.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.92 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 88.1 m95 -91.46 150.28 40.96 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 20.6 Cg_endo -80.31 157.51 22.76 Favored 'Trans proline' 0 N--CA 1.445 -1.334 0 C-N-CA 123.05 2.5 . . . . 0.0 111.328 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.65 -18.66 12.42 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.688 2.258 . . . . 0.0 113.054 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 40.2 mtmt -68.56 -25.0 64.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.939 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 90.1 m-85 -101.07 4.1 41.95 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -50.28 153.17 1.57 Allowed 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' HE1' ' A' ' 32' ' ' TRP . 68.2 p -137.02 151.86 49.45 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.991 -0.684 . . . . 0.0 112.439 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -92.09 101.88 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.169 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 41.8 mm-40 -107.65 115.14 59.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.617 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.6 ' HG2' ' ND1' ' A' ' 47' ' ' HIS . 5.4 Cg_endo -47.56 147.33 6.67 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.472 2.115 . . . . 0.0 112.078 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.9 tm-20 -52.36 -17.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.012 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -84.14 -36.88 22.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.163 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 29.5 m80 -76.07 -34.1 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.656 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -52.74 100.32 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' B' ' 26' ' ' ARG . 11.2 mt -64.67 2.3 0.69 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.896 -177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD2' ' HB2' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -143.39 109.21 5.3 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.348 -0.541 . . . . 0.0 112.244 -179.178 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.34 -16.59 55.14 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.567 2.178 . . . . 0.0 110.811 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HB3' ' NZ ' ' B' ' 23' ' ' LYS . 1.0 OUTLIER -64.88 -33.83 76.94 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.209 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 16.2 mt -65.05 -44.13 90.06 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -62.74 -55.69 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.721 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -51.04 65.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.855 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.09 -37.12 52.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.197 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.743 ' HB2' HD12 ' A' ' 16' ' ' ILE . 89.0 t80 -63.65 -49.91 71.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.699 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.12 -12.82 58.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.956 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -81.89 -34.56 29.92 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.918 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.4 mmmt -69.0 -42.08 76.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.437 0.636 . . . . 0.0 109.77 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.29 -47.24 68.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.38 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 59' ' ' GLU . 10.9 pt-20 -62.41 -33.78 75.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.913 0.387 . . . . 0.0 110.468 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -63.93 -52.05 61.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.372 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -77.93 -64.26 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.024 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -51.25 -59.74 3.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.2 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 51.53 16.07 0.4 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.908 0.385 . . . . 0.0 111.766 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.2 t -168.65 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 161.12 -21.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.447 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -88.5 147.32 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.68 0.276 . . . . 0.0 110.742 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttt180 -70.76 -147.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.671 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 86.3 tttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.532 0.206 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.23 142.78 86.98 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.597 2.198 . . . . 0.0 112.208 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . 5.8 tpm_? -164.03 -58.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.429 ' HE2' HD21 ' B' ' 20' ' ' LEU . 20.9 ptmt -114.4 138.58 50.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.65 97.8 8.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.73 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.434 HD13 ' HE2' ' B' ' 23' ' ' LYS . 78.8 mt -93.13 -1.12 56.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.65 12.69 3.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.27 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.1 m 64.43 114.49 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.518 ' NZ ' ' HB3' ' A' ' 52' ' ' ARG . 19.4 mttm -67.64 -47.46 69.51 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.33 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.71 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . 62.3 160.11 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -156.74 178.77 9.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.268 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.655 ' HB3' HD11 ' A' ' 49' ' ' LEU . 4.1 ptp180 -102.91 163.53 12.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.79 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.483 ' CD ' HG21 ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.99 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 28.5 p 59.37 169.07 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.195 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.508 ' H ' HG23 ' A' ' 6' ' ' ILE . . . -63.33 -52.43 61.0 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.61 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 29' ' ' ALA . 57.7 Cg_endo . . . . . 0 C--O 1.248 0.993 0 C-N-CA 122.057 1.838 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 ttm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.46 96.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.459 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -54.34 117.81 3.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 6' ' ' ILE . 87.2 p -148.06 144.11 27.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.953 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' SER . . . 72.19 -26.26 0.18 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.892 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' H ' ' C ' ' A' ' 4' ' ' SER . 49.5 mm -52.1 -62.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.479 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.65 -68.63 3.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.128 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' B' ' 28' ' ' SER . 7.9 mt-10 -130.53 175.43 8.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.0 110.624 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -163.94 -42.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.613 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 22.4 t 65.56 142.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.564 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -134.87 -101.82 0.23 Allowed 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.646 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.87 111.09 0.52 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' H ' ' HA ' ' B' ' 24' ' ' ALA . 41.0 t -90.71 121.08 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.966 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 9.4 tp10 -57.72 -42.53 84.01 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' N ' HG12 ' A' ' 13' ' ' VAL . 13.7 p 161.44 143.41 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.863 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.642 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 2.2 mp -50.4 150.71 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.628 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 2.1 mtt180 -112.25 -43.77 3.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.076 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 82.3 mttt -136.55 174.57 10.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.972 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 72.8 tttt -148.1 119.72 8.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.234 178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 17.2 ptt180 -130.72 132.7 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.073 0.463 . . . . 0.0 110.167 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 26' ' ' VAL . 80.0 t -111.27 149.81 13.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.762 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' GLY . 56.2 ttt180 -133.34 101.14 5.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.077 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp 62.64 2.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.262 0.553 . . . . 0.0 109.867 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 132.36 -16.99 4.83 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.855 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 25.7 mtpp -72.57 103.31 3.51 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 21' ' ' VAL . 43.4 t -77.63 143.31 13.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.165 0.507 . . . . 0.0 111.163 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.3 mt-10 -135.43 150.51 49.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.035 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.631 ' HB3' HG12 ' A' ' 16' ' ' ILE . 46.0 m-85 -133.67 112.98 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.979 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 1.6 tm? -67.49 82.24 0.16 Allowed 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.6 m -70.57 132.05 33.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -177.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' NZ ' ' HE ' ' A' ' 17' ' ' ARG . 18.9 ttmm -92.16 103.37 15.86 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.607 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 85.0 m95 -63.93 128.73 37.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.094 0.473 . . . . 0.0 111.557 -179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -58.67 -61.55 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.05 -179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.31 18.75 2.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.811 -0.709 . . . . 0.0 113.611 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.607 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 74.6 m95 -141.64 153.37 65.02 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 117.154 0.477 . . . . 0.0 111.092 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.53 156.91 64.17 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.716 2.278 . . . . 0.0 111.451 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.55 -15.51 41.89 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.112 1.875 . . . . 0.0 111.045 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -72.01 -21.89 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.92 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -101.57 11.21 39.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.889 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.5 m -50.78 156.8 0.89 Allowed 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.9 p -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.611 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -90.27 109.59 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -116.8 115.78 38.8 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 92.1 Cg_exo -45.01 152.79 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.72 2.28 . . . . 0.0 113.035 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -57.74 -18.99 24.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.23 -27.79 25.83 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.02 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.56 -31.67 53.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD11 ' HB2' ' A' ' 28' ' ' TYR . 17.3 mm -55.69 100.29 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD21 ' NE ' ' B' ' 26' ' ' ARG . 10.9 mt -65.88 2.39 1.07 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.539 -177.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -149.26 115.23 3.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.947 -179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.2 -27.7 56.33 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.44 2.094 . . . . 0.0 111.507 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.9 mpp_? -53.07 -33.16 50.77 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 13.7 mt -68.02 -49.93 58.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.376 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 41.8 t -58.69 -57.57 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.571 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -51.36 34.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.229 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.43 61.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.444 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 86.7 t80 -59.72 -50.14 75.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.796 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -67.03 -17.16 64.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.607 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -38.19 66.48 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mtpp -71.01 -36.38 72.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.651 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HB3' ' HD3' ' A' ' 65' ' ' ARG . 46.5 mt-10 -64.59 -54.32 33.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.71 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.98 -32.2 65.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.733 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -64.6 -49.68 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.342 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -79.6 -63.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.863 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 62.4 mtp180 -42.08 -50.86 4.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.59 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 50.43 32.39 6.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.241 0.543 . . . . 0.0 111.237 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.5 p -141.63 112.78 7.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.561 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.35 -98.6 0.12 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.283 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -92.66 -39.84 11.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.557 179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 27.5 ttt180 53.2 -163.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.036 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 28.6 tptp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.587 0.232 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.86 138.33 48.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.461 2.107 . . . . 0.0 112.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -125.58 -26.47 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.63 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.5 -173.83 4.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.96 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 55.04 79.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.6 tp -104.2 -34.91 8.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.64 45.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.306 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.8 p -94.03 133.84 37.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.519 ' HB2' ' HG ' ' A' ' 53' ' ' LEU . 74.5 mmtt -92.14 176.61 6.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.506 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.558 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -146.33 160.48 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 111.813 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.87 177.34 7.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.693 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.622 ' NE ' HD21 ' A' ' 49' ' ' LEU . 3.6 ptp180 -104.29 142.66 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.354 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.134 179.127 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.502 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 69.0 m -83.0 137.4 34.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.19 130.65 23.9 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD3' ' HG2' ' A' ' 8' ' ' GLU . 67.6 Cg_endo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.283 1.989 . . . . 0.0 112.282 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 121.024 0.44 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 52.62 73.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.176 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -77.99 104.1 8.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 -179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.5 p -159.08 -59.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.86 -73.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.9 mt 58.59 101.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.682 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.22 79.49 1.04 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.833 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 64.4 163.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.089 0.471 . . . . 0.0 111.251 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.542 HE21 ' HB2' ' B' ' 27' ' ' MLY . 9.9 pt20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 60.0 t 64.64 143.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.248 0.546 . . . . 0.0 111.863 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -148.69 -167.93 2.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.306 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.78 128.6 52.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.172 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 15' ' ' SER . 25.3 t -102.46 114.99 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.188 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 5.2 mm-40 -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' HG12 ' A' ' 13' ' ' VAL . 18.9 p 161.41 155.17 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.478 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.9 mt -58.52 162.78 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.559 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.587 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 14.5 mtt180 -130.84 -40.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.046 0.45 . . . . 0.0 110.319 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 15.0 mttt -137.45 177.1 8.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.737 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 69.4 tttt -154.03 111.67 3.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.71 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.9 ptt180 -123.32 131.01 53.52 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 0.0 110.273 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 26' ' ' VAL . 81.0 t -109.29 150.49 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.106 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' GLY . 71.2 ttt180 -131.87 98.18 4.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.999 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 61.49 4.18 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.257 0.551 . . . . 0.0 110.011 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.43 -19.63 4.02 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.791 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.4 mtpt -70.76 103.21 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 21' ' ' VAL . 41.2 t -80.43 142.2 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.042 0.448 . . . . 0.0 111.491 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 40.1 mt-10 -133.83 153.98 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -136.14 110.76 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.0 tm? -67.69 87.93 0.23 Allowed 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 4.4 m -88.92 139.35 17.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 120.159 -0.616 . . . . 0.0 112.215 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -90.46 117.97 29.57 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.14 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 69.7 m95 -74.68 137.08 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 124.046 0.841 . . . . 0.0 112.206 -178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 1.4 tmmt? -67.85 140.45 56.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.446 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.46 -16.09 5.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.094 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.3 m95 -102.1 149.14 36.31 Favored Pre-proline 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 110.963 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -79.37 157.82 25.83 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 123.004 2.469 . . . . 0.0 111.594 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 17' ' ' ARG . 51.4 Cg_exo -53.79 -19.57 15.12 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.641 2.227 . . . . 0.0 113.019 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 39.2 mtmt -68.23 -24.41 64.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.872 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 91.4 m-85 -101.84 6.4 41.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -50.41 154.09 1.37 Allowed 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 69.9 p -139.32 156.68 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.724 -0.791 . . . . 0.0 112.625 -179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -92.8 110.91 22.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.718 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -116.03 114.54 41.3 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 98.2 Cg_exo -43.89 153.14 0.3 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.562 2.175 . . . . 0.0 112.628 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -57.02 -17.05 8.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -89.36 -27.23 20.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.727 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -77.14 -36.26 55.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -54.01 98.8 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 HD21 ' NE ' ' B' ' 26' ' ' ARG . 11.3 mt -64.86 1.94 0.8 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.809 -177.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -141.45 109.59 6.23 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.63 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.57 -6.87 14.67 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.663 2.242 . . . . 0.0 110.953 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.13 -38.36 78.8 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 19.6 mt -64.48 -48.04 76.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.003 177.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.41 -58.56 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.188 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -54.24 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.736 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -58.63 -35.35 72.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.711 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.63 ' HB2' HD12 ' A' ' 16' ' ' ILE . 83.8 t80 -61.39 -49.64 76.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -68.74 -12.56 61.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.19 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.505 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -78.31 -42.98 29.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.091 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -69.16 -42.58 75.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.926 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.5 mm-40 -66.14 -52.54 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.273 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 10.5 pt-20 -51.07 -40.84 59.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 16.0 mmt180 -58.37 -53.9 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -79.73 -63.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.409 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' GLU . 54.4 mtp180 -45.77 -21.86 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.303 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -42.21 -49.44 4.95 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.712 0.292 . . . . 0.0 111.509 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 t -102.48 -53.25 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.997 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.6 -22.88 8.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -82.87 99.89 10.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -96.72 -164.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.906 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.612 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 52.7 Cg_exo -55.04 125.85 20.58 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.97 1.78 . . . . 0.0 112.419 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 57.36 -164.48 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -56.78 150.5 16.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.009 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -145.82 153.69 41.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 20' ' ' LEU . 6.7 mp -112.62 1.81 15.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.16 52.58 7.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.344 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -85.7 -6.37 59.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.407 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' B' ' 23' ' ' LYS . 3.5 mppt? -68.57 146.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.764 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.79 168.28 16.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.976 0.417 . . . . 0.0 111.406 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -153.57 -173.43 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.864 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.601 ' NE ' HD21 ' A' ' 49' ' ' LEU . 8.8 ptp180 -118.18 159.52 23.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.131 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.542 ' HB2' HE21 ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.595 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 60.7 m -133.6 149.44 51.61 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.103 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -172.09 150.33 2.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.931 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo . . . . . 0 C--O 1.25 1.104 0 C-N-CA 122.419 2.079 . . . . 0.0 112.312 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.9 mtp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.949 0.404 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 60.32 174.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.508 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.5 tp 54.47 74.04 0.36 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 t -158.15 -55.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.57 11.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.56 HG21 ' HB2' ' B' ' 28' ' ' SER . 48.2 mt -55.92 124.19 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.204 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.89 90.35 0.49 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.115 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -47.72 129.69 14.1 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 120.592 0.234 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' O ' ' HB3' ' B' ' 26' ' ' ARG . 12.6 pt20 -145.43 -61.63 0.34 Allowed 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.263 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.75 HG22 HD13 ' A' ' 49' ' ' LEU . 86.5 t -158.62 160.97 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.896 0.379 . . . . 0.0 111.542 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.527 ' N ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -152.57 -134.79 0.05 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.525 179.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.39 110.38 3.67 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 2.0 t -103.16 129.53 54.8 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 4.4 mm-40 -65.52 -44.63 86.36 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.3 t 163.86 157.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.364 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.737 HD12 ' HB2' ' A' ' 57' ' ' TYR . 18.4 mt -63.42 157.66 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.061 0.458 . . . . 0.0 110.949 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 20.6 mtt-85 -123.32 -43.75 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.325 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.583 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 68.7 mttt -138.84 173.25 11.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.902 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -145.39 135.43 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.004 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -140.33 141.67 35.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.94 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 26' ' ' VAL . 74.8 t -127.11 150.97 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.363 . . . . 0.0 111.305 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.5 ttt180 -133.74 97.59 3.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.874 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 61.42 4.11 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.203 0.525 . . . . 0.0 110.134 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 136.34 -22.47 3.38 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.008 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 56.1 mtpt -67.98 103.17 1.43 Allowed 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.622 HG22 HG22 ' A' ' 21' ' ' VAL . 41.0 t -82.82 151.23 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 112.094 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 1.6 mm-40 -142.56 159.73 41.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.769 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB3' HG23 ' A' ' 16' ' ' ILE . 49.3 m-85 -143.62 112.73 6.74 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.964 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HG ' ' HD2' ' A' ' 18' ' ' LYS . 2.4 tm? -64.98 88.83 0.07 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 m -79.21 135.51 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD2' ' HE ' ' A' ' 17' ' ' ARG . 60.4 tttm -95.57 112.21 23.98 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CZ3' HG22 ' A' ' 13' ' ' VAL . 84.0 m95 -77.75 146.12 36.08 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 -177.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -66.12 137.48 57.07 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.353 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 65.59 -4.56 2.07 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.928 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.527 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 87.0 m95 -104.91 146.84 33.44 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.906 0.384 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 6.5 Cg_exo -74.24 160.54 42.15 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 123.259 2.639 . . . . 0.0 111.853 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.97 -17.07 53.81 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.241 1.961 . . . . 0.0 111.312 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 36' ' ' PRO . 36.3 mtmt -70.21 -25.4 63.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.96 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -101.21 6.87 43.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.749 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.2 m -53.55 158.55 1.78 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.527 HG23 ' HE1' ' A' ' 32' ' ' TRP . 37.8 p -137.19 157.25 47.08 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.862 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CH2' ' HB2' ' A' ' 18' ' ' LYS . 85.6 m95 -97.67 99.96 11.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.202 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -103.22 122.93 43.55 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.902 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 50.2 Cg_exo -53.56 148.75 33.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 5.8 tm-20 -54.94 -16.44 2.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.802 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.04 -35.88 25.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.536 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.419 ' HB3' ' HG3' ' B' ' 26' ' ' ARG . 38.5 m80 -73.43 -34.82 65.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 50' ' ' ASP . 12.8 mm -54.05 103.66 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 10' ' ' VAL . 5.5 mt -74.99 2.46 10.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.78 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' H ' HG22 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -140.27 108.75 6.82 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.205 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.82 -19.59 58.83 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.643 2.229 . . . . 0.0 111.313 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 1.1 mpp_? -60.53 -33.75 73.12 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' HG ' ' HB2' ' B' ' 23' ' ' LYS . 16.5 mt -66.49 -48.97 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.051 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.5 t -58.49 -56.97 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.804 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.2 tpp -50.24 -60.04 3.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.223 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.97 -39.41 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.95 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.737 ' HB2' HD12 ' A' ' 16' ' ' ILE . 93.9 t80 -57.77 -52.98 63.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.114 0.483 . . . . 0.0 109.856 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' ' 61' ' ' GLU . 23.6 mm-40 -66.3 -13.68 60.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.486 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -38.24 21.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.609 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 57' ' ' TYR . 1.1 mtpm? -70.59 -41.05 72.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.53 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 58' ' ' GLU . 12.7 pt-20 -68.65 -48.55 63.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.249 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 11.7 pt-20 -59.66 -38.84 82.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -66.41 -44.96 81.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.752 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -75.78 -60.94 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.007 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -50.58 -25.3 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.731 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -46.93 -52.75 13.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.7 0.286 . . . . 0.0 111.517 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -161.46 -59.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.84 176.16 20.83 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.577 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -68.58 155.92 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 111.037 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 49.63 -153.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.56 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.816 -179.876 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.6 0.238 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.99 85.1 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.425 2.083 . . . . 0.0 112.157 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -98.28 162.77 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -84.25 125.72 32.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -63.87 151.86 41.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 89.8 mt -76.03 -172.5 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 171.28 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.446 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -129.51 133.6 47.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.008 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.488 ' HB2' ' HG ' ' A' ' 53' ' ' LEU . 13.8 mmtp -99.38 148.16 24.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.612 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.546 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -130.21 178.28 6.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.119 0.485 . . . . 0.0 111.925 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -159.99 159.53 32.25 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.734 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 7.2 ptp180 -73.38 169.6 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.402 HH23 ' HE2' ' A' ' 11' ' ' PHE . . . . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.56 ' HB2' HG21 ' A' ' 6' ' ' ILE . 96.6 p -161.23 48.48 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 64.5 153.88 0.12 Allowed Pre-proline 0 CA--C 1.53 0.204 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.287 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.439 2.093 . . . . 0.0 112.438 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 58.64 43.02 19.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.34 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 55.96 69.38 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.7 m -114.32 -67.14 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.42 -80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.733 HG23 ' HB2' ' B' ' 29' ' ' ALA . 41.4 mt 53.38 92.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.421 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.31 -29.94 60.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.057 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 6' ' ' ILE . 47.8 mt-10 60.86 163.18 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.948 0.404 . . . . 0.0 111.39 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.591 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 12.0 pt20 178.79 -62.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.434 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.907 HG21 HD11 ' A' ' 49' ' ' LEU . 21.9 t 58.39 167.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.956 0.408 . . . . 0.0 111.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' N ' HG12 ' A' ' 10' ' ' VAL . 97.0 m-85 -121.5 -98.71 0.44 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.666 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.61 113.7 2.3 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.847 0.356 . . . . 0.0 111.028 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' B' ' 25' ' ' ALA . 2.8 t -84.92 130.16 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.758 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 38.3 tt0 -65.83 -44.7 84.78 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 22.2 t 168.17 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.966 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 57' ' ' TYR . 28.0 mt -83.49 158.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.671 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 10.0 mtt-85 -121.77 -46.44 2.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.777 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 72.8 mttt -134.69 176.16 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.026 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -150.94 120.34 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.076 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 15.2 ptt180 -128.39 131.45 48.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.018 0.437 . . . . 0.0 110.466 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 26' ' ' VAL . 86.1 t -110.36 149.2 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.975 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' GLY . 50.6 ttt180 -132.34 98.8 4.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.923 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.47 2.91 0.97 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.211 0.529 . . . . 0.0 110.096 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.51 -15.11 4.71 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.842 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 26.5 mtpp -75.37 103.53 5.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 21' ' ' VAL . 44.9 t -80.92 142.84 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.085 0.469 . . . . 0.0 111.983 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 7.7 mt-10 -133.28 163.9 28.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.047 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB2' HD11 ' A' ' 48' ' ' ILE . 48.8 m-85 -144.78 113.04 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.4 tm? -68.38 93.28 0.47 Allowed 'General case' 0 C--O 1.224 -0.282 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -81.38 132.84 30.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.576 ' HZ2' ' HB3' ' A' ' 15' ' ' SER . 12.6 pttp -98.26 103.66 15.63 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.684 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 98.5 m95 -65.63 140.07 58.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.879 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -53.43 -72.92 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.107 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.31 26.16 1.05 Allowed Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.892 -0.67 . . . . 0.0 113.432 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.684 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 91.9 m95 -142.05 150.1 54.71 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 0.0 111.251 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CD1' ' A' ' 39' ' ' TYR . 25.3 Cg_endo -80.81 154.75 20.25 Favored 'Trans proline' 0 N--CA 1.446 -1.3 0 C-N-CA 123.038 2.492 . . . . 0.0 111.329 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -50.98 -17.69 3.66 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.584 2.189 . . . . 0.0 112.863 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 36' ' ' PRO . 36.4 mtmt -66.71 -34.25 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.595 -179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 72.5 m-85 -96.87 9.26 42.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.715 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 67.1 m -49.25 157.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.3 p -134.4 157.0 47.55 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.187 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -99.42 101.16 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.994 179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' OE2' ' HB3' ' B' ' 26' ' ' ARG . 1.7 mm-40 -106.72 123.7 37.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 53.4 Cg_exo -53.21 151.56 21.76 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.386 2.058 . . . . 0.0 112.295 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 6.3 tm-20 -64.16 -17.94 63.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.717 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.08 -2.79 58.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.689 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 49' ' ' LEU . 4.4 m80 -119.32 -20.91 7.72 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.677 ' HA ' ' HB1' ' B' ' 25' ' ' ALA . 2.9 mt -56.8 91.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.907 HD11 HG21 ' A' ' 10' ' ' VAL . 19.7 mt -46.46 -25.59 0.7 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.111 -1.404 . . . . 0.0 112.597 -177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -120.45 105.69 41.23 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -63.12 -7.92 12.98 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.554 2.17 . . . . 0.0 110.446 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' HE ' ' HD3' ' B' ' 23' ' ' LYS . 0.2 OUTLIER -62.57 -34.03 76.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 13.2 mt -70.16 -51.04 34.34 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.561 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 55.3 t -57.66 -56.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.751 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -54.56 28.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.356 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.57 -38.65 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.629 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.552 ' HB2' HD12 ' A' ' 16' ' ' ILE . 86.2 t80 -57.41 -51.1 70.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.173 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -69.22 -13.37 62.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.585 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -37.32 24.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.442 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -72.91 -40.89 65.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.59 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 13.0 pt-20 -68.05 -49.39 61.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.141 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 10.4 pt-20 -56.51 -40.24 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 14.1 mmm180 -61.15 -54.11 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -71.51 -62.44 1.41 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.64 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.236 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 49.95 16.43 0.23 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.986 0.422 . . . . 0.0 111.502 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -176.71 -164.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.331 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.7 -150.02 18.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.71 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -82.35 149.95 27.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.35 . . . . 0.0 110.727 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -70.09 -169.04 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.483 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.654 -179.903 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.53 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.487 1.412 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.53 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 93.6 Cg_endo -79.09 -15.43 12.96 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.049 1.833 . . . . 0.0 112.347 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -157.84 82.83 0.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.727 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -162.58 -22.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -132.71 61.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.7 mt -113.68 -64.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.76 -64.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.2 p 50.97 -171.31 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.588 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.475 ' HD3' ' HE ' ' A' ' 52' ' ' ARG . 23.3 mtmm -131.39 73.84 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.413 ' HB1' ' CG1' ' A' ' 10' ' ' VAL . . . -75.56 153.34 37.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.353 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 48' ' ' ILE . . . -167.3 116.52 0.83 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.61 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.0 OUTLIER 56.33 -168.24 0.1 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 177.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.521 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . . . . . . . . 0 CA--C 1.519 -0.223 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.432 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.537 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 24.7 p -112.31 -78.3 0.58 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.729 -179.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.733 ' HB2' HG23 ' A' ' 6' ' ' ILE . . . -60.48 145.19 87.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.05 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo . . . . . 0 C--O 1.25 1.115 0 C-N-CA 122.421 2.081 . . . . 0.0 112.221 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.998 0.427 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.82 161.34 15.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.108 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 30' ' ' PRO . 5.0 tt -138.45 107.29 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.713 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.9 p -154.65 -18.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.747 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.97 -28.31 18.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.93 105.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.962 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.07 72.46 0.62 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' B' ' 26' ' ' ARG . 42.8 mt-10 64.45 153.28 0.05 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.112 0.482 . . . . 0.0 111.527 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.695 ' HG3' ' H ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -151.22 -75.31 0.15 Allowed 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.747 HG22 HD13 ' A' ' 49' ' ' LEU . 75.0 t -155.08 160.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' N ' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -151.22 -138.01 0.08 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.168 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.28 100.52 2.9 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.607 HG23 ' HA ' ' B' ' 24' ' ' ALA . 8.9 t -86.73 132.0 33.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 33' ' ' LYS . 10.7 tp10 -74.67 -42.13 59.04 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 176.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.46 ' N ' HG12 ' A' ' 13' ' ' VAL . 12.6 t 162.22 149.84 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.463 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' ' 57' ' ' TYR . 14.3 mt -60.44 156.72 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.151 0.501 . . . . 0.0 111.366 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.712 ' HE ' ' HD3' ' A' ' 31' ' ' LYS . 6.1 mtt180 -122.65 -44.73 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.359 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 44.6 mttm -138.32 174.34 10.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.298 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -148.17 115.39 6.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.014 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 13.4 ptt180 -119.71 131.45 55.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 110.197 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 26' ' ' VAL . 77.6 t -114.09 149.55 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.969 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 22' ' ' ARG . 32.7 ttt180 -132.81 99.36 4.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt 61.84 3.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.255 0.55 . . . . 0.0 109.937 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.44 -17.83 4.45 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.807 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.5 mtpt -71.35 103.2 2.8 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 21' ' ' VAL . 48.3 t -82.39 145.96 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.447 0.641 . . . . 0.0 112.354 -178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 3.9 mt-10 -137.43 160.05 40.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.676 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -140.83 110.7 6.5 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 2.2 tm? -65.66 88.35 0.1 Allowed 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 30' ' ' VAL . 5.7 m -79.95 130.59 35.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.712 ' HD3' ' HE ' ' A' ' 17' ' ' ARG . 29.8 ttpp -90.98 112.31 24.14 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 78.9 m95 -73.17 134.79 44.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.817 -0.628 . . . . 0.0 112.39 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 14' ' ' GLU . 20.9 ttpp -56.13 -67.32 0.31 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.821 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.53 25.17 1.4 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.496 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.696 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.1 m95 -144.13 152.96 55.9 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.999 0.428 . . . . 0.0 111.179 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.675 ' HB2' ' HE2' ' A' ' 38' ' ' LYS . 44.7 Cg_endo -81.07 158.89 20.63 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 123.174 2.583 . . . . 0.0 111.4 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.16 -16.45 9.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.496 2.131 . . . . 0.0 111.984 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' HE2' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -66.88 -31.22 71.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.933 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' A' ' 36' ' ' PRO . 69.5 m-85 -101.86 12.3 37.22 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 m -48.86 155.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.436 ' CG2' ' HE1' ' A' ' 32' ' ' TRP . 48.1 p -136.31 156.22 48.96 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.027 -0.669 . . . . 0.0 112.066 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -96.91 106.16 18.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -110.04 115.64 54.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.508 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.623 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 6.9 Cg_endo -48.75 148.34 8.78 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.509 2.14 . . . . 0.0 111.837 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.9 tm-20 -52.67 -18.23 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.651 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.28 -34.9 23.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.253 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.613 ' ND1' ' HG2' ' A' ' 44' ' ' PRO . 24.0 m80 -74.58 -28.34 60.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.785 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.5 mm -58.79 98.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.747 HD13 HG22 ' A' ' 10' ' ' VAL . 11.0 mt -64.08 -3.38 2.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.395 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -136.7 108.35 9.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.63 -5.77 12.4 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.558 2.172 . . . . 0.0 110.993 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 4.2 mpt_? -69.67 -40.56 76.33 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' B' ' 23' ' ' LYS . 18.1 mt -62.22 -44.64 96.1 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 78.4 t -63.8 -56.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.332 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -59.97 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.38 -34.09 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.023 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.545 ' HB2' HD12 ' A' ' 16' ' ' ILE . 88.3 t80 -59.81 -52.76 64.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.12 0.486 . . . . 0.0 109.801 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.09 -13.19 61.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.541 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -74.26 -46.28 42.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.945 179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 59' ' ' GLU . 4.9 mtpt -69.17 -40.2 78.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 65' ' ' ARG . 15.5 mm-40 -65.29 -50.65 64.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.178 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -53.78 -36.7 62.68 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -59.84 -55.29 36.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.173 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -83.02 -65.38 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.417 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 61' ' ' GLU . 52.7 mtp180 -45.24 -33.11 2.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.666 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 55.62 -82.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 65' ' ' ARG . 48.5 t -100.8 -68.67 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.732 0.301 . . . . 0.0 110.8 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.96 -133.24 1.97 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.835 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -62.09 -30.36 70.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.778 0.323 . . . . 0.0 111.188 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 71' ' ' LYS . 17.6 ttp180 -73.15 -164.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.647 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 26.7 ttpp . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.449 0.166 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -51.94 116.13 2.58 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.567 2.178 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -100.43 -10.4 21.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.994 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.89 64.79 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.956 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -124.11 -38.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.793 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 8.1 mp -85.64 100.56 12.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.707 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.68 137.54 56.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.278 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.6 p -118.31 -26.88 6.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 52' ' ' ARG . 19.1 mttt -127.42 139.0 53.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.303 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.607 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -142.44 159.41 42.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.738 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -120.3 -172.59 2.39 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 94.7 mtt180 -89.28 -90.65 0.14 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.588 HH22 ' HB3' ' B' ' 28' ' ' SER . . . . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.738 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.588 ' HB3' HH22 ' B' ' 27' ' ' MLY . 45.6 t -44.02 134.83 4.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 111.343 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.479 ' N ' ' HD2' ' B' ' 30' ' ' PRO . . . -72.88 -50.76 6.89 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.74 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.484 ' HB3' HD13 ' A' ' 3' ' ' LEU . 57.7 Cg_endo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 121.923 1.749 . . . . 0.0 112.276 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.962 0.411 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -111.19 70.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.998 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt 56.77 -88.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.196 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p 67.67 -3.96 1.03 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.253 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.5 -30.83 24.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 110.084 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.603 HG22 ' HG3' ' A' ' 8' ' ' GLU . 32.4 mt 48.13 94.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.77 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.68 -20.22 58.54 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.071 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.736 ' HA ' ' HB3' ' B' ' 28' ' ' SER . 42.6 mt-10 57.09 -178.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.346 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HG2' ' HB2' ' B' ' 28' ' ' SER . 13.9 pt20 -176.72 53.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 110.154 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 49' ' ' LEU . 26.4 t -52.93 137.6 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.79 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -136.01 -129.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.572 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.42 108.37 8.12 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.661 0.267 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 30' ' ' VAL . 33.6 t -78.88 132.49 32.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.34 . . . . 0.0 111.451 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.75 -45.15 62.63 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.47 ' N ' HG12 ' A' ' 13' ' ' VAL . 7.3 p 162.0 152.19 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.714 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.737 HG12 HG23 ' A' ' 30' ' ' VAL . 7.8 mt -61.55 158.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.183 0.516 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.637 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.3 ttt180 -122.24 -47.42 2.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 74.7 mttt -135.83 176.62 8.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.273 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -150.78 117.8 5.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.439 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 2.3 ptt180 -119.24 142.22 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 26' ' ' VAL . 73.6 t -127.68 149.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' GLY . 65.0 ttt180 -133.5 98.17 4.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.878 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp 61.15 4.3 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.259 0.552 . . . . 0.0 110.069 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 135.37 -20.43 3.73 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.758 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 53.9 mtpt -68.41 102.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG22 HG22 ' A' ' 21' ' ' VAL . 36.6 t -84.53 148.92 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.434 0.635 . . . . 0.0 112.167 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.586 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 2.9 mm-40 -139.94 161.18 38.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.706 178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.444 ' CE2' HG22 ' A' ' 54' ' ' VAL . 35.3 m-85 -142.19 113.44 7.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.103 -178.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.1 tm? -69.6 81.03 0.41 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 177.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 HG12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -81.12 132.04 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.32 0.581 . . . . 0.0 112.24 -177.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.11 136.62 32.86 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.195 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 90.6 m95 -94.0 127.45 39.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.471 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -61.53 132.87 54.76 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.874 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.67 -28.17 3.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.44 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 74.8 m95 -90.04 152.27 46.02 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.638 0.256 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 11.3 Cg_exo -69.78 158.15 57.92 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.88 2.387 . . . . 0.0 111.9 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB3' HH12 ' A' ' 17' ' ' ARG . 30.0 Cg_endo -63.51 -16.97 57.86 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.26 1.973 . . . . 0.0 111.071 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -70.48 -21.21 62.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.201 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -101.66 11.35 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -53.56 156.38 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.7 p -138.63 148.37 43.99 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.102 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -90.93 108.97 20.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.737 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.59 124.26 32.92 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 77.7 Cg_exo -51.26 153.22 10.01 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.92 1.747 . . . . 0.0 111.24 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.9 tm-20 -61.66 -14.64 32.97 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.041 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -95.19 -8.03 37.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.455 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' CG ' HH11 ' B' ' 26' ' ' ARG . 60.1 m80 -101.21 -34.2 9.77 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -57.81 93.54 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 10' ' ' VAL . 13.8 mt -46.45 -23.17 0.34 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.902 -1.499 . . . . 0.0 112.744 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.0 m-20 -115.08 110.09 46.18 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -66.22 -15.32 47.91 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.344 2.029 . . . . 0.0 109.985 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -62.72 -38.56 90.94 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.566 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 14.4 mt -62.91 -44.16 96.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.056 178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 38.0 t -64.0 -57.67 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.401 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -54.78 21.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.632 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -54.04 -35.78 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.619 ' HB2' HD12 ' A' ' 16' ' ' ILE . 90.1 t80 -58.55 -55.46 34.83 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.291 0.567 . . . . 0.0 109.708 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' HA ' ' CD ' ' A' ' 61' ' ' GLU . 15.4 mt-10 -66.95 -9.54 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.274 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.73 -37.92 22.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.236 -179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -68.81 -44.99 72.37 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.974 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 8.2 pt-20 -64.34 -61.35 2.29 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.422 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 12.8 pt-20 -41.18 -46.4 3.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.791 0.329 . . . . 0.0 110.565 -178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -54.43 -48.46 71.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.303 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.06 -64.61 1.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.423 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.766 ' HG3' ' H ' ' A' ' 66' ' ' ALA . 16.7 ptt180 -58.47 -67.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.766 ' H ' ' HG3' ' A' ' 65' ' ' ARG . . . -66.07 -13.96 60.9 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.729 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.478 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.4 t 80.99 -10.58 1.21 Allowed 'General case' 0 CA--C 1.518 -0.282 0 O-C-N 123.537 0.523 . . . . 0.0 110.087 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.91 -116.34 3.26 Favored Glycine 0 N--CA 1.445 -0.724 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.867 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.3 t80 50.09 -90.83 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.724 0.297 . . . . 0.0 111.587 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 14.0 tpp180 -159.53 -144.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.328 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.462 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 5.0 tppp? . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.549 0.214 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.71 34.43 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.602 2.201 . . . . 0.0 112.229 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' B' ' 17' ' ' ARG . 2.0 mmp_? -98.19 -44.89 6.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -121.98 -50.21 2.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.045 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.49 129.87 42.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.255 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 56.22 90.68 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.194 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.13 85.51 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 25.0 p -104.84 -73.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.402 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.566 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 37.9 mtmm -140.16 135.03 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.236 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.445 ' HA ' ' H ' ' A' ' 13' ' ' VAL . . . -165.3 177.67 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.51 164.91 10.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.016 0.436 . . . . 0.0 111.688 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' B' ' 27' ' ' MLY . 0.0 OUTLIER -84.14 164.01 19.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.276 179.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.505 ' HB2' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.331 -0.212 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.331 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.736 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 6.9 t -82.15 -86.07 0.1 Allowed 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.444 ' HB2' ' HD2' ' B' ' 26' ' ' ARG . . . 61.77 162.67 0.11 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.31 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' B' ' 29' ' ' ALA . 77.5 Cg_exo . . . . . 0 C--O 1.249 1.05 0 C-N-CA 122.528 2.152 . . . . 0.0 112.552 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.7 mtm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.039 0.447 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -106.5 -0.85 23.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.38 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -143.41 60.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 111.182 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -160.12 -36.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -163.44 138.44 6.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG22 ' O ' ' B' ' 28' ' ' SER . 0.0 OUTLIER -126.82 105.2 13.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.482 -179.495 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.22 12.85 67.75 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.888 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG2' ' NH2' ' B' ' 26' ' ' ARG . 19.5 mt-10 54.82 -173.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 0.0 111.288 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' NE2' ' HB2' ' B' ' 27' ' ' MLY . 12.1 pt20 -177.13 -44.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.613 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG22 HD11 ' A' ' 49' ' ' LEU . 45.8 t 63.88 136.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 121.149 0.5 . . . . 0.0 111.912 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.424 ' HB3' ' H ' ' A' ' 12' ' ' ALA . 3.3 m-85 -143.14 -161.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.539 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' H ' ' HB3' ' A' ' 11' ' ' PHE . . . -112.4 118.04 34.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.117 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 15' ' ' SER . 12.0 t -94.34 124.57 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.719 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -55.62 -46.96 77.29 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 176.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.5 ' N ' HG12 ' A' ' 13' ' ' VAL . 27.5 t 163.61 153.21 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 113.738 -1.574 . . . . 0.0 109.924 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.656 HD12 ' HB2' ' A' ' 57' ' ' TYR . 29.3 mt -55.37 162.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.594 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.0 ttt180 -127.03 -44.76 1.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.102 0.477 . . . . 0.0 110.274 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 80.2 mttt -136.64 176.28 8.84 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.193 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 70.7 tttt -152.45 114.25 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.109 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 12.3 ptt180 -121.43 132.88 54.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.21 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 26' ' ' VAL . 71.3 t -114.86 149.9 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.771 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLY . 72.2 ttt180 -133.43 99.41 4.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.793 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 61.73 3.81 0.95 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.21 0.529 . . . . 0.0 110.037 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.05 -19.81 4.09 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.81 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 46.6 mtpt -70.2 103.26 2.3 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG22 HG22 ' A' ' 21' ' ' VAL . 34.9 t -81.89 147.83 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.201 0.524 . . . . 0.0 112.136 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HB2' ' HG2' ' A' ' 20' ' ' ARG . 4.5 mt-10 -139.71 159.47 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.948 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 48' ' ' ILE . 52.6 m-85 -141.02 120.91 13.55 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.902 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.3 tm? -78.36 87.28 4.4 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.554 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 35.9 m -77.85 146.2 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 3.9 ttmp? -103.83 111.32 23.78 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.347 -0.842 . . . . 0.0 108.777 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 59.6 m95 -69.55 128.11 35.35 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.893 0.746 . . . . 0.0 111.113 -179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HA ' ' HG2' ' A' ' 14' ' ' GLU . 22.7 ttpp -60.47 -59.86 4.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.888 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.97 18.89 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.612 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.587 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 68.2 m95 -141.83 156.6 65.67 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 117.263 0.532 . . . . 0.0 111.578 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -61.16 145.6 98.55 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.927 2.418 . . . . 0.0 111.42 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.28 -16.41 40.7 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 121.858 1.705 . . . . 0.0 109.62 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' HE3' ' CD2' ' A' ' 39' ' ' TYR . 17.2 ttpt -72.22 -23.56 61.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 113.783 -1.553 . . . . 0.0 110.364 178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' CD2' ' HE3' ' A' ' 38' ' ' LYS . 13.1 m-85 -95.66 9.85 38.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.378 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -48.87 152.89 0.94 Allowed 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.4 p -137.37 149.74 47.19 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.063 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -88.15 138.9 31.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.88 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' OE2' ' HB1' ' B' ' 25' ' ' ALA . 0.5 OUTLIER -150.02 125.78 5.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 26' ' ' VAL . 76.4 Cg_exo -49.01 152.73 4.5 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.496 2.131 . . . . 0.0 112.733 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.6 tm-20 -58.91 -18.07 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.128 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -84.64 -29.33 25.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.263 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -78.15 -27.51 48.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.167 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 28' ' ' TYR . 19.0 mm -54.95 102.5 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' B' ' 26' ' ' ARG . 10.4 mt -67.47 2.28 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 112.531 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' B' ' 24' ' ' ALA . 3.9 m-20 -145.44 111.61 4.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.99 -10.28 28.35 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.447 2.098 . . . . 0.0 110.82 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.71 -38.27 80.14 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.8 -46.26 88.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.146 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 61.4 t -64.66 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.069 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.77 -53.25 7.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -56.87 -40.18 75.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.663 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.656 ' HB2' HD12 ' A' ' 16' ' ' ILE . 82.8 t80 -58.38 -56.15 25.83 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.433 0.635 . . . . 0.0 109.595 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 62' ' ' GLU . 15.7 mt-10 -65.8 -9.38 28.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.16 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -83.38 -37.61 23.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.691 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -65.92 -43.92 86.69 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.735 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 10.9 pt-20 -62.28 -54.81 35.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.208 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 36.4 mt-10 -43.58 -60.21 1.86 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.026 0.441 . . . . 0.0 110.64 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -54.62 -31.22 56.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.736 -179.26 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -98.09 -67.04 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.647 ' HG3' ' N ' ' A' ' 66' ' ' ALA . 16.2 ptt180 -65.57 -48.61 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.647 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . -74.98 1.71 12.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.257 -178.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.473 ' HB2' ' O ' ' A' ' 63' ' ' ARG . 19.2 m -129.27 1.43 5.15 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.015 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.99 -142.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.424 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.55 103.42 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.36 -162.84 1.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.071 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.854 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.43 0.157 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 24.7 Cg_exo -63.27 114.26 2.41 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.502 2.135 . . . . 0.0 112.242 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -107.62 -175.76 2.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm 57.88 83.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.41 ' HB2' HD23 ' B' ' 20' ' ' LEU . 3.0 pt20 -159.97 -51.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 19' ' ' GLN . 0.6 OUTLIER -170.64 137.44 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.76 179.395 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.44 -33.24 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 88.4 m 65.91 -77.51 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.601 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? 65.58 111.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.177 0.513 . . . . 0.0 111.326 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.434 ' H ' ' CG ' ' A' ' 50' ' ' ASP . . . -158.03 170.3 22.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' OE2' ' A' ' 43' ' ' GLU . . . -161.43 171.48 18.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.261 0.553 . . . . 0.0 112.39 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 49' ' ' LEU . 14.0 ptm180 -107.54 144.88 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.148 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . 0.451 ' HB2' ' NE2' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 6' ' ' ILE . 41.7 t 65.69 -86.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.031 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.67 148.58 43.34 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.158 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.445 2.097 . . . . 0.0 112.368 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttm . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -108.13 88.92 2.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.046 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.7 tp 55.99 66.01 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.805 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 6' ' ' ILE . 77.8 p -170.65 159.85 6.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' SER . . . 72.66 -26.95 0.18 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.061 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' H ' ' C ' ' A' ' 4' ' ' SER . 59.1 mt -59.49 -63.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.93 105.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.243 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 1.7 mt-10 -64.72 129.7 40.76 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 120.483 0.182 . . . . 0.0 111.018 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 8' ' ' GLU . 2.8 pp0? 171.39 108.57 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 26' ' ' ARG . 15.8 m -141.15 -119.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.49 ' H ' HG23 ' A' ' 10' ' ' VAL . 27.3 m-85 -107.93 -167.28 1.23 Allowed 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.552 0.691 . . . . 0.0 112.399 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.05 129.74 53.41 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.886 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.578 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.5 t -90.59 128.31 42.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HA ' ' A' ' 33' ' ' LYS . 3.6 mt-10 -56.84 -46.07 81.96 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 4.1 m 169.39 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 114.009 -1.451 . . . . 0.0 109.848 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.636 HD13 ' CG ' ' A' ' 28' ' ' TYR . 52.1 mt -95.12 138.28 21.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 110.582 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.608 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.4 ttt180 -97.33 -46.39 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.44 -179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 8.2 mttm -134.81 178.69 6.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 77.7 tttt -151.32 112.24 4.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.181 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 3.9 ptt180 -117.08 129.74 56.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 26' ' ' VAL . 84.6 t -113.26 150.1 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.38 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' C ' ' H ' ' A' ' 24' ' ' GLY . 52.3 ttt180 -134.05 99.57 4.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.784 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp 62.11 2.8 0.86 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.214 0.53 . . . . 0.0 110.129 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 134.47 -20.91 3.88 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.729 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 22.5 mtpp -69.24 103.94 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 21' ' ' VAL . 46.9 t -83.56 145.38 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' PRO . 8.6 mt-10 -135.25 161.38 35.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.543 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.636 ' CG ' HD13 ' A' ' 16' ' ' ILE . 56.4 m-85 -141.76 117.04 10.11 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.865 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' HB2' ' HB2' ' A' ' 18' ' ' LYS . 1.7 tm? -68.88 85.86 0.33 Allowed 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.5 135.95 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 14' ' ' GLU . 55.7 pttt -102.72 111.15 23.33 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 96.4 m95 -72.84 131.46 42.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.715 -1.129 . . . . 0.0 112.267 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HA ' ' HG3' ' A' ' 14' ' ' GLU . 20.7 ttpt -62.54 -56.21 20.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.447 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.88 19.49 4.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.155 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.6 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 77.0 m95 -145.14 154.44 54.23 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-N 116.948 0.374 . . . . 0.0 111.593 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 12.5 Cg_exo -70.05 156.95 61.36 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.849 2.366 . . . . 0.0 111.523 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.05 -16.56 40.04 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.148 1.899 . . . . 0.0 111.282 179.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -72.02 -22.0 61.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.54 13.12 35.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.9 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 m -51.95 161.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.3 p -141.47 163.8 31.96 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.497 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.462 ' CH2' ' HB2' ' A' ' 29' ' ' LEU . 91.9 m95 -104.12 106.8 17.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -113.58 122.18 35.75 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.539 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HA ' ' HA ' ' A' ' 27' ' ' GLU . 75.0 Cg_exo -49.61 153.27 5.57 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.449 2.099 . . . . 0.0 112.321 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 4.1 tm-20 -61.64 -27.69 68.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.241 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -84.55 -3.54 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.915 0.388 . . . . 0.0 110.889 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.485 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 61.7 m80 -106.4 -26.32 11.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.196 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.432 HD11 ' HB2' ' A' ' 28' ' ' TYR . 15.5 mm -55.89 102.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' B' ' 26' ' ' ARG . 20.8 mt -59.17 2.14 0.06 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.903 -1.044 . . . . 0.0 113.014 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' HB2' HD12 ' A' ' 53' ' ' LEU . 2.8 m-20 -147.32 110.98 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.484 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.55 -20.6 65.82 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.492 2.128 . . . . 0.0 110.857 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB3' ' HE2' ' B' ' 23' ' ' LYS . 0.1 OUTLIER -60.71 -35.33 76.05 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 31.8 mt -63.51 -39.26 93.96 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.11 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' TYR . 42.7 t -72.23 -54.34 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.704 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 tpp -54.33 -62.47 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.519 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 59' ' ' GLU . . . -49.17 -40.03 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.569 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 54' ' ' VAL . 50.2 t80 -52.09 -57.02 10.82 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.226 0.536 . . . . 0.0 110.035 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 54' ' ' VAL . 13.8 mt-10 -67.24 -10.51 51.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.71 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -82.1 -45.61 14.98 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.477 ' HD2' ' O ' ' A' ' 56' ' ' ALA . 2.4 mttt -69.63 -39.94 76.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.066 0.46 . . . . 0.0 110.238 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 65' ' ' ARG . 13.3 mm-40 -66.04 -53.65 35.78 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.132 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 11.0 pt-20 -50.92 -42.99 59.91 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.569 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 22.8 mmt180 -65.22 -53.91 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.929 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.59 -61.85 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.7 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' GLU . 37.5 mtp180 -42.36 -44.86 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.894 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 67' ' ' SER . . . -59.74 -41.72 91.57 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.208 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 66' ' ' ALA . 30.2 t 73.98 6.77 4.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.959 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.28 -178.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.98 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -52.86 149.87 5.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 1.2 tpp180 -72.41 -140.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.317 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 16.8 tppt? . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.97 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.621 0.248 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.1 133.75 21.94 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.547 2.165 . . . . 0.0 112.363 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -75.84 -40.29 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.642 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -164.47 115.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.632 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -144.6 82.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.737 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 20' ' ' LEU . 2.7 mm? -81.52 121.93 26.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 -174.66 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.7 m 63.53 113.91 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.299 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.565 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 65.8 mttt -79.43 164.34 24.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.453 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.578 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -171.45 168.77 6.4 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.079 0.466 . . . . 0.0 111.794 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.478 ' HA ' ' H ' ' A' ' 49' ' ' LEU . . . -152.57 147.81 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.847 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.684 ' HB3' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -88.33 137.98 31.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.274 0.559 . . . . 0.0 112.418 -178.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.449 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 43.8 m 65.2 73.76 0.4 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.702 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . 63.87 151.26 0.11 Allowed Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.471 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo . . . . . 0 C--O 1.248 0.975 0 C-N-CA 122.515 2.144 . . . . 0.0 112.243 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.948 0.404 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 57.27 72.97 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.014 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' H ' ' H ' ' A' ' 4' ' ' SER . 29.1 tp -167.79 -7.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.608 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.411 ' H ' ' H ' ' A' ' 3' ' ' LEU . 25.4 m -134.31 -43.13 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.152 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.62 74.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.153 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.68 -69.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.53 73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.644 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 56.95 -172.31 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 111.108 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -171.79 -38.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.677 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' B' ' 26' ' ' ARG . 18.5 t 64.1 144.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.791 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.13 -107.5 0.17 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.295 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 100.61 0.5 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.133 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' B' ' 24' ' ' ALA . 2.6 t -79.01 125.42 38.38 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.113 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t 162.86 155.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.5 178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.645 HD12 ' HB2' ' A' ' 57' ' ' TYR . 37.0 mt -61.92 158.04 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.823 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.618 ' HB3' HD12 ' A' ' 29' ' ' LEU . 12.9 ttt180 -120.26 -48.07 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.235 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 75.4 mttt -135.44 177.08 8.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.718 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 27' ' ' GLU . 62.6 tttt -150.71 114.64 5.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.136 178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HG2' ' HB2' ' A' ' 27' ' ' GLU . 19.6 ptt180 -119.13 137.08 53.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.778 0.323 . . . . 0.0 110.565 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 91.2 t -122.18 146.95 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.002 0.43 . . . . 0.0 111.407 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' GLY . 76.0 ttt180 -134.8 101.02 4.77 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.669 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 62.52 2.56 0.93 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ARG . . . 133.26 -16.67 4.62 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 24.1 mtpp -71.67 103.28 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.916 HG12 ' OE2' ' A' ' 45' ' ' GLU . 3.5 t -90.66 147.56 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 19' ' ' LYS . 4.3 mt-10 -142.09 160.97 39.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.335 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.77 ' CE2' HG22 ' A' ' 54' ' ' VAL . 22.3 m-85 -132.62 114.4 14.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.592 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 17' ' ' ARG . 2.4 tm? -67.56 86.53 0.2 Allowed 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ILE . 2.3 m -74.22 138.71 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -177.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' HD3' ' HG3' ' A' ' 17' ' ' ARG . 56.0 mtmt -98.84 101.44 12.84 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.907 177.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 35' ' ' TRP . 93.9 m95 -65.96 130.04 41.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -58.36 -60.45 3.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.922 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.82 20.59 1.78 Allowed Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.468 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 32' ' ' TRP . 86.8 m95 -144.46 150.84 49.13 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 117.006 0.403 . . . . 0.0 111.323 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' TRP . 15.5 Cg_exo -70.16 156.92 61.19 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.019 2.479 . . . . 0.0 111.605 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.39 -16.95 31.24 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.161 1.907 . . . . 0.0 111.274 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HE2' ' CB ' ' A' ' 36' ' ' PRO . 1.4 mppt? -69.97 -26.26 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.35 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 36' ' ' PRO . 80.2 m-85 -100.09 11.03 40.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.557 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.19 156.96 1.0 Allowed 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.5 p -136.85 163.08 31.5 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.948 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -103.42 103.93 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.408 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -103.64 128.13 28.03 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.703 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG2' ' HB2' ' A' ' 47' ' ' HIS . 14.4 Cg_endo -56.84 149.09 62.66 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.362 2.041 . . . . 0.0 111.851 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.916 ' OE2' HG12 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.09 -5.6 6.93 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.903 -179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -100.4 -4.32 29.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.864 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.472 ' HB3' ' HD2' ' B' ' 26' ' ' ARG . 17.9 m80 -111.48 -24.14 10.33 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 50' ' ' ASP . 7.0 mm -52.71 103.18 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 HG22 ' A' ' 10' ' ' VAL . 11.4 mt -64.5 1.61 0.78 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.273 -177.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' HB2' HD12 ' A' ' 53' ' ' LEU . 3.4 m-20 -146.46 109.28 4.18 Favored Pre-proline 0 C--N 1.328 -0.36 0 C-N-CA 121.139 -0.225 . . . . 0.0 111.543 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' O ' ' HG2' ' A' ' 55' ' ' MET . 31.0 Cg_exo -62.15 -32.92 83.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.326 2.017 . . . . 0.0 110.907 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HB2' ' HG2' ' B' ' 23' ' ' LYS . 11.7 mpt_? -50.18 -42.43 51.13 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 23' ' ' LYS . 11.3 mt -54.39 -47.35 72.81 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.77 HG22 ' CE2' ' A' ' 28' ' ' TYR . 70.7 t -63.03 -56.46 17.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.176 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 51' ' ' PRO . 35.1 mmm -45.94 -66.74 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.687 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 59' ' ' GLU . . . -44.7 -39.31 5.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.269 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 16' ' ' ILE . 91.3 t80 -56.92 -55.11 38.83 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 109.777 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.17 -14.49 63.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.594 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 56' ' ' ALA . 30.3 mt-10 -76.37 -47.51 23.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.264 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -61.43 -41.76 97.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.792 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.58 -50.27 67.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.35 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 59' ' ' GLU . 1.5 pt-20 -51.98 -33.83 39.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.554 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -65.6 -56.74 10.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.394 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -77.01 -63.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.02 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -47.96 -43.05 29.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.434 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . 46.04 -91.83 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.905 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 t -136.53 -71.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.648 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 59.2 -162.68 12.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.624 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -68.87 143.59 54.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.777 0.323 . . . . 0.0 110.791 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . 3.0 tpt180 47.89 -159.9 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.585 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.9 -179.801 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.607 0.241 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.95 133.17 48.88 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.64 2.227 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.492 ' HG2' ' N ' ' B' ' 18' ' ' LYS . 13.1 ttm180 63.11 163.08 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.492 ' N ' ' HG2' ' B' ' 17' ' ' ARG . 59.5 mttm 61.54 175.05 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.266 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 62.15 -86.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.203 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.431 HD12 ' N ' ' B' ' 20' ' ' LEU . 5.9 mp -110.82 13.87 22.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.79 -178.89 0.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.271 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 9.2 t -100.44 145.01 28.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.514 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -90.94 153.47 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.983 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.506 ' HA ' HG23 ' A' ' 13' ' ' VAL . . . -164.75 178.76 7.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.487 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 49' ' ' LEU . . . -160.18 164.23 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.589 ' HA ' ' HA ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -96.02 177.98 5.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.772 0.32 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.706 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.406 ' N ' HH21 ' B' ' 26' ' ' ARG . 69.5 m -141.51 76.51 1.55 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.323 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.48 ' N ' HH21 ' B' ' 26' ' ' ARG . . . -75.22 131.26 78.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.405 2.07 . . . . 0.0 112.292 -179.946 . . . . . . . . 0 0 . 1 stop_ save_